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harshasatyavardhan
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matgpt_datasets

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The dataset generation failed because of a cast error
Error code:   DatasetGenerationCastError
Exception:    DatasetGenerationCastError
Message:      An error occurred while generating the dataset

All the data files must have the same columns, but at some point there are 1 new columns ({'crystal_system_encoded'})

This happened while the csv dataset builder was generating data using

hf://datasets/harshasatyavardhan/matgpt_datasets/Training_dataset_alex20_with_encoding.csv (at revision 4880674342e2da1edee09cccc6ec88ec7d2e39c4), [/tmp/hf-datasets-cache/medium/datasets/31539388897486-config-parquet-and-info-harshasatyavardhan-matgpt-d7939870/hub/datasets--harshasatyavardhan--matgpt_datasets/snapshots/4880674342e2da1edee09cccc6ec88ec7d2e39c4/Training_dataset_alex20.csv (origin=hf://datasets/harshasatyavardhan/matgpt_datasets@4880674342e2da1edee09cccc6ec88ec7d2e39c4/Training_dataset_alex20.csv), /tmp/hf-datasets-cache/medium/datasets/31539388897486-config-parquet-and-info-harshasatyavardhan-matgpt-d7939870/hub/datasets--harshasatyavardhan--matgpt_datasets/snapshots/4880674342e2da1edee09cccc6ec88ec7d2e39c4/Training_dataset_alex20_with_encoding.csv (origin=hf://datasets/harshasatyavardhan/matgpt_datasets@4880674342e2da1edee09cccc6ec88ec7d2e39c4/Training_dataset_alex20_with_encoding.csv), /tmp/hf-datasets-cache/medium/datasets/31539388897486-config-parquet-and-info-harshasatyavardhan-matgpt-d7939870/hub/datasets--harshasatyavardhan--matgpt_datasets/snapshots/4880674342e2da1edee09cccc6ec88ec7d2e39c4/bulk_modulus_with_formation.csv (origin=hf://datasets/harshasatyavardhan/matgpt_datasets@4880674342e2da1edee09cccc6ec88ec7d2e39c4/bulk_modulus_with_formation.csv), /tmp/hf-datasets-cache/medium/datasets/31539388897486-config-parquet-and-info-harshasatyavardhan-matgpt-d7939870/hub/datasets--harshasatyavardhan--matgpt_datasets/snapshots/4880674342e2da1edee09cccc6ec88ec7d2e39c4/bulk_modulus_with_formation_crystal_system.csv (origin=hf://datasets/harshasatyavardhan/matgpt_datasets@4880674342e2da1edee09cccc6ec88ec7d2e39c4/bulk_modulus_with_formation_crystal_system.csv)]

Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)
Traceback:    Traceback (most recent call last):
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1800, in _prepare_split_single
                  writer.write_table(table)
                File "/usr/local/lib/python3.12/site-packages/datasets/arrow_writer.py", line 765, in write_table
                  self._write_table(pa_table, writer_batch_size=writer_batch_size)
                File "/usr/local/lib/python3.12/site-packages/datasets/arrow_writer.py", line 773, in _write_table
                  pa_table = table_cast(pa_table, self._schema)
                             ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2321, in table_cast
                  return cast_table_to_schema(table, schema)
                         ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2249, in cast_table_to_schema
                  raise CastError(
              datasets.table.CastError: Couldn't cast
              mat_id: string
              SLICES: string
              nsites: int64
              e_above_hull: double
              band_gap_ind: double
              band_gap_dir: double
              e_form: double
              crystal_system: string
              space_group: string
              crystal_system_encoded: int64
              -- schema metadata --
              pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 1475
              to
              {'mat_id': Value('string'), 'SLICES': Value('string'), 'nsites': Value('int64'), 'e_above_hull': Value('float64'), 'band_gap_ind': Value('float64'), 'band_gap_dir': Value('float64'), 'e_form': Value('float64'), 'crystal_system': Value('string'), 'space_group': Value('string')}
              because column names don't match
              
              During handling of the above exception, another exception occurred:
              
              Traceback (most recent call last):
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1347, in compute_config_parquet_and_info_response
                  parquet_operations = convert_to_parquet(builder)
                                       ^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 980, in convert_to_parquet
                  builder.download_and_prepare(
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 882, in download_and_prepare
                  self._download_and_prepare(
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 943, in _download_and_prepare
                  self._prepare_split(split_generator, **prepare_split_kwargs)
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1646, in _prepare_split
                  for job_id, done, content in self._prepare_split_single(
                                               ^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1802, in _prepare_split_single
                  raise DatasetGenerationCastError.from_cast_error(
              datasets.exceptions.DatasetGenerationCastError: An error occurred while generating the dataset
              
              All the data files must have the same columns, but at some point there are 1 new columns ({'crystal_system_encoded'})
              
              This happened while the csv dataset builder was generating data using
              
              hf://datasets/harshasatyavardhan/matgpt_datasets/Training_dataset_alex20_with_encoding.csv (at revision 4880674342e2da1edee09cccc6ec88ec7d2e39c4), [/tmp/hf-datasets-cache/medium/datasets/31539388897486-config-parquet-and-info-harshasatyavardhan-matgpt-d7939870/hub/datasets--harshasatyavardhan--matgpt_datasets/snapshots/4880674342e2da1edee09cccc6ec88ec7d2e39c4/Training_dataset_alex20.csv (origin=hf://datasets/harshasatyavardhan/matgpt_datasets@4880674342e2da1edee09cccc6ec88ec7d2e39c4/Training_dataset_alex20.csv), /tmp/hf-datasets-cache/medium/datasets/31539388897486-config-parquet-and-info-harshasatyavardhan-matgpt-d7939870/hub/datasets--harshasatyavardhan--matgpt_datasets/snapshots/4880674342e2da1edee09cccc6ec88ec7d2e39c4/Training_dataset_alex20_with_encoding.csv (origin=hf://datasets/harshasatyavardhan/matgpt_datasets@4880674342e2da1edee09cccc6ec88ec7d2e39c4/Training_dataset_alex20_with_encoding.csv), /tmp/hf-datasets-cache/medium/datasets/31539388897486-config-parquet-and-info-harshasatyavardhan-matgpt-d7939870/hub/datasets--harshasatyavardhan--matgpt_datasets/snapshots/4880674342e2da1edee09cccc6ec88ec7d2e39c4/bulk_modulus_with_formation.csv (origin=hf://datasets/harshasatyavardhan/matgpt_datasets@4880674342e2da1edee09cccc6ec88ec7d2e39c4/bulk_modulus_with_formation.csv), /tmp/hf-datasets-cache/medium/datasets/31539388897486-config-parquet-and-info-harshasatyavardhan-matgpt-d7939870/hub/datasets--harshasatyavardhan--matgpt_datasets/snapshots/4880674342e2da1edee09cccc6ec88ec7d2e39c4/bulk_modulus_with_formation_crystal_system.csv (origin=hf://datasets/harshasatyavardhan/matgpt_datasets@4880674342e2da1edee09cccc6ec88ec7d2e39c4/bulk_modulus_with_formation_crystal_system.csv)]
              
              Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)

Need help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.

mat_id
string
SLICES
string
nsites
int64
e_above_hull
float64
band_gap_ind
float64
band_gap_dir
float64
e_form
float64
crystal_system
string
space_group
string
agm004637768
Cs Cs Cs Sm Sm Sc Se Se Se Se Se Se 0 6 -oo 0 2 -oo 0 2 o+o 0 2 ooo 0 1 -oo 0 1 -+o 0 1 o+o 0 7 -oo 0 10 o+o 0 8 ooo 0 11 o+o 0 9 ooo 1 11 ooo 1 9 o-o 1 6 ooo 1 2 ooo 1 2 o-o 1 2 +oo 1 7 o-o 1 10 +oo 1 8 +oo 2 8 ooo 2 10 ooo 2 9 ooo 2 11 ooo 2 7 ooo 2 6 ooo 3 8 ooo 3 6 -o- 3 11 o+o 3 10 oo- 3 9 oo- 3 7 ooo 4 10 oo- 4 1...
12
0.011031
1.7334
2.0897
-1.663014
monoclinic
C2/m
agm003915901
Os Hg Cl Cl 0 2 --o 0 2 o-o 0 2 -oo 0 3 o-o 0 3 -oo 0 3 ooo 1 3 ooo 1 3 +oo 1 3 o+o 1 1 o+o 1 1 +oo 1 1 +-o 1 2 o-+ 1 2 -o+ 1 2 oo+
4
0.62363
1.1727
1.1727
-0.128655
monoclinic
C2/m
agm005100241
Cs Tm Hg I I I I I I 0 6 ooo 0 8 oo+ 0 5 o+o 0 4 +oo 0 7 +o+ 0 3 o++ 1 7 ooo 1 5 ooo 1 4 ooo 1 3 ooo 1 6 ooo 1 8 ooo 2 4 o-o 2 3 -oo 2 6 -oo 2 8 o-o 2 7 ooo 2 5 ooo
9
0.05202
1.4934
1.4956
-1.02461
monoclinic
C2
agm001499445
Ir Hg Rb Rb Cl 0 2 ooo 0 2 o+o 0 2 +oo 0 2 ++o 0 1 ooo 0 1 oo+ 0 1 +oo 0 1 +o+ 0 3 ooo 0 3 oo+ 0 3 o+o 0 3 o++ 1 4 ooo 1 4 o+o 2 4 ooo 2 4 oo+ 3 4 ooo 3 4 +oo
5
1.137851
0.4872
0.5866
0.147906
tetragonal
P4/mmm
agm004746926
Rb Rb Hg Hg Hg Hg S S S S Cl Cl 0 10 ooo 0 10 +oo 0 8 ooo 0 9 oo+ 0 9 ooo 0 11 oo+ 1 11 -oo 1 11 ooo 1 10 oo- 1 7 ooo 1 7 oo- 1 6 ooo 2 6 o-o 2 9 ooo 2 10 oo- 3 9 -oo 3 6 o-o 3 10 oo- 4 8 o+o 4 7 +oo 4 11 oo+ 5 7 ooo 5 8 o+o 5 11 oo+
12
0.063263
2.5125
2.5516
-0.991802
monoclinic
P2_1/m
agm005096358
Rb Hg Pt Cl Cl Cl Cl Cl Cl 0 6 o-o 0 5 -oo 0 8 -o+ 0 7 o-+ 0 4 ooo 0 3 oo+ 1 7 ooo 1 5 ooo 1 4 o+o 1 3 +oo 1 6 +oo 1 8 o+o 2 4 ooo 2 3 ooo 2 6 ooo 2 8 ooo 2 7 ooo 2 5 ooo
9
0.083314
0.6142
0.7273
-1.193011
monoclinic
C2
agm004701550
Cs Cs Cs Rb Rb Rb Hg Cl Cl Cl Cl Cl Cl Cl Cl 0 11 -oo 0 14 --- 0 7 ooo 0 8 --- 0 13 ooo 0 12 o-- 1 9 -oo 1 8 -o- 1 13 o+o 1 14 --- 1 7 ooo 1 10 oo- 2 12 o-- 2 7 ooo 2 10 oo- 2 9 ooo 2 8 oo- 2 11 o+o 3 7 o-o 3 12 o-o 3 13 ooo 3 14 o-o 3 11 ooo 3 8 ooo 4 13 ooo 4 10 ooo 4 7 ooo 4 8 ooo 4 9 ooo 4 14 ooo 5 8 -oo 5 9 -oo 5 ...
15
0.02185
2.7642
2.7926
-2.001696
trigonal
R-3m
agm005006216
Cs Cs Ag Ag Ge Ge Se Se Se Se 0 7 -oo 0 7 ooo 0 1 -oo 0 1 -+o 0 3 ooo 0 2 o++ 0 6 -oo 0 6 ooo 0 9 ooo 0 9 o+o 0 5 ooo 0 5 o++ 0 4 oo+ 0 4 ooo 0 8 ooo 0 8 o+o 1 9 ooo 1 9 +oo 1 7 o-o 1 7 ooo 1 4 o-o 1 4 oo+ 1 5 oo+ 1 5 ooo 1 6 o-o 1 6 ooo 1 8 ooo 1 8 +oo 1 2 +oo 1 3 +o+ 2 6 --- 2 9 ooo 3 7 -oo 3 8 oo- 4 8 oo- 4 9 o+o 4 ...
10
0.148187
0.3545
0.3879
-0.464488
orthorhombic
Cmme
agm003601564
In In Hg Hg Cl Cl 0 4 ooo 0 4 o+o 0 4 +oo 0 4 ++o 0 2 +oo 0 5 ooo 1 5 --o 1 5 -oo 1 5 o-o 1 5 ooo 1 4 ooo 1 3 o-o 2 3 --- 2 3 -o- 2 3 o-- 2 3 oo-
6
0.019043
0.8118
1.7125
-0.72529
orthorhombic
Aem2
agm004680124
Cs Cs Cs Hg Hg Pb Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 13 oo+ 0 7 -oo 0 7 ooo 0 6 -oo 0 6 o+o 0 11 ooo 0 8 o+o 0 8 ooo 0 10 ooo 0 14 oo+ 0 9 ooo 0 12 o++ 0 3 oo+ 1 14 --o 1 14 ooo 1 9 --o 1 6 -o- 1 13 ooo 1 13 o-o 1 10 ooo 1 12 -oo 1 12 ooo 1 7 --- 1 11 o-o 1 8 oo- 2 12 ooo 2 11 o-o 2 11 +oo 2 8 ooo 2 14 ooo 2 10 ooo 2 10 +oo ...
15
0.019118
0.8507
1.5161
-1.645254
trigonal
P-3m1
agm005074227
Ce Ce Hg Hg Pb Pb Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 17 oo- 0 9 ooo 0 15 oo- 0 12 ooo 0 6 oo- 0 11 ooo 1 10 ooo 1 14 o-- 1 6 o-- 1 8 ooo 1 16 o-- 1 12 ooo 2 15 ooo 2 12 ooo 2 10 ooo 2 10 +++ 2 7 ooo 2 7 o+o 2 13 +o+ 2 11 oo+ 2 11 ooo 2 6 ooo 2 6 +oo 2 16 ooo 2 9 ooo 2 9 +o+ 2 8 o++ 2 8 ooo 2 17 +oo 2 14 +oo 3 16 ---...
18
0.082434
0.191
0.1933
-1.807829
orthorhombic
Imma
agm004588151
Hf Tl Tl Hg Hg Cl Cl Cl Cl Cl Cl 0 10 --o 0 5 --o 0 6 ooo 0 9 --o 0 7 ooo 0 8 ooo 1 6 ooo 1 9 -oo 1 8 o+o 1 7 ooo 1 10 ooo 1 5 ooo 1 3 o++ 1 3 -oo 2 7 ooo 2 8 ooo 2 5 ooo 2 10 o-o 2 6 +oo 2 9 ooo 2 4 +o+ 2 4 o-o 3 6 o-- 3 4 o-o 3 4 +oo 3 8 oo- 3 9 ooo 3 5 o-- 3 7 +oo 3 10 +oo 4 8 -o- 4 5 -o- 4 7 o+o 4 6 oo- 4 10 ooo 4 ...
11
0.043502
2.9484
2.9955
-1.544647
monoclinic
C2/m
agm004589895
Cs Li Li Hg Hg Cl Cl Cl Cl Cl Cl Cl 0 6 ooo 0 8 ooo 0 5 ooo 0 11 ooo 0 9 ooo 0 7 ooo 1 7 ooo 1 6 o+o 1 10 ++o 1 5 +oo 2 11 o-o 2 9 -oo 2 8 ooo 2 10 oo+ 3 9 ooo 3 8 o+o 3 11 +oo 4 5 o-o 4 7 -oo 4 6 ooo
12
0.087768
1.9563
1.9574
-1.517852
trigonal
R32
agm002054950
Cs Cs Hg Hg Cl Cl 0 4 -oo 0 4 -+o 0 4 ooo 0 4 o+o 0 5 oo- 1 5 --o 1 5 -oo 1 5 o-o 1 5 ooo 1 4 -o+ 2 3 -oo 2 3 -+o 2 3 ooo 2 3 o+o 2 5 ooo 3 4 ooo
6
0.060831
1.2734
2.3722
-1.446758
triclinic
P1
agm001665069
Cs Hg Ga Cl Cl 0 1 ooo 0 1 o+o 0 1 +oo 0 1 ++o 0 3 ooo 0 3 oo+ 0 3 +oo 0 3 +o+ 0 4 ooo 0 4 oo+ 0 4 o+o 0 4 o++ 1 2 ooo 1 2 oo+ 2 4 -oo 2 4 ooo 2 3 o-o 2 3 ooo
5
0.130667
0.0116
0.027
-1.245278
tetragonal
P4/mmm
agm005090057
Rb Hg Pd Cl Cl Cl Cl Cl Cl 0 6 o-o 0 5 -oo 0 8 -o+ 0 7 o-+ 0 4 ooo 0 3 oo+ 1 7 ooo 1 5 ooo 1 4 o+o 1 3 +oo 1 6 +oo 1 8 o+o 2 4 ooo 2 3 ooo 2 6 ooo 2 8 ooo 2 7 ooo 2 5 ooo
9
0.0623
0.518
0.6306
-1.196813
monoclinic
C2
agm005097855
Al Sn Hg Cl Cl Cl Cl Cl Cl 0 4 ooo 0 3 ooo 0 6 ooo 0 8 ooo 0 7 ooo 0 5 ooo 1 7 ooo 1 5 ooo 1 4 o+o 1 3 +oo 1 6 +oo 1 8 o+o 2 6 +-o 2 5 ooo 2 8 oo+ 2 7 +-+ 2 4 +oo 2 3 +o+
9
0.134385
0.0388
0.1893
-1.407007
trigonal
P312
agm003775986
Ni Hg F F F F F F 0 5 ooo 0 6 ooo 0 3 ooo 0 7 ooo 0 2 ooo 0 4 ooo 1 2 --o 1 7 -o- 1 4 o-- 1 6 o-o 1 5 oo- 1 3 -oo
8
0.055287
0.9547
0.9583
-1.530361
cubic
Fm-3m
agm003206432
As As Hg Hg O O O O O O 0 5 ooo 0 9 -oo 0 4 o+o 0 6 ooo 0 8 ooo 0 7 ooo 1 4 ooo 1 6 ooo 1 8 ooo 1 7 o-o 1 5 +oo 1 9 ooo 2 6 --o 2 3 -o- 2 5 ooo 2 4 ooo 3 7 o-o 3 9 o-o 3 8 +oo
10
0
1.6166
2.0958
-1.367857
trigonal
P-31m
agm004895581
Ba Zn Zn Hg Cl Cl Cl Cl Cl Cl Cl Cl 0 5 ooo 0 4 ooo 0 4 o+o 0 4 +oo 0 8 ooo 0 9 ooo 0 6 -oo 0 6 o-o 0 6 ooo 0 10 ooo 0 7 ooo 0 11 ooo 1 9 o-o 1 4 ooo 1 7 -oo 1 5 ooo 2 11 ooo 2 8 +oo 2 6 ooo 2 10 o+o 3 7 --o 3 10 -o- 3 5 -oo 3 11 o-- 3 9 o-o 3 8 oo-
12
0.082685
2.3844
2.4276
-1.677682
trigonal
R-3
agm004931757
Rb Rb Zn Hg Cl Cl Cl Cl Cl Cl 0 7 oo- 0 7 ooo 0 9 o-o 0 9 ooo 0 6 o-+ 0 6 +oo 0 5 oo- 0 5 o-o 0 8 oo+ 0 8 +oo 0 4 ooo 0 4 +oo 1 6 ooo 1 6 oo+ 1 9 -oo 1 9 ooo 1 7 -oo 1 7 o+- 1 8 o+o 1 8 oo+ 1 5 -oo 1 5 oo- 1 4 ooo 1 4 o+o 2 9 oo- 2 8 ooo 2 6 ooo 2 7 oo- 2 5 oo- 2 4 ooo 3 5 oo- 3 9 ooo 3 7 o+- 3 6 +oo 3 4 ++- 3 8 ++o
10
0.07157
1.4041
1.482
-1.631866
tetragonal
I4/mmm
agm005211729
Hg Te As Cl 0 2 ooo 0 2 +oo 0 2 o+o 0 0 o+o 0 0 +oo 0 0 +-o 0 3 --o 0 3 -oo 0 3 o-o 0 1 oo- 1 2 oo+ 1 2 o++ 1 2 +o+ 1 3 -oo 1 3 o-o 1 3 ooo
4
0.195124
0.2866
0.2866
-0.276789
trigonal
R3m
agm004662543
Hg Pb Pb Pb I I Br Br Br Br Br Br 0 7 o-- 0 10 oo- 0 9 ooo 0 8 o-- 0 11 o-o 0 6 ooo 1 6 -oo 1 5 -o- 1 11 -oo 1 10 oo- 1 4 ooo 1 7 oo- 2 9 ooo 2 4 ooo 2 7 ooo 2 6 ooo 2 5 ooo 2 8 ooo 3 4 o-o 3 10 ooo 3 9 ooo 3 8 o-o 3 11 o-o 3 5 ooo
12
0.069348
1.6335
1.8706
-0.690068
monoclinic
C2/m
agm004575365
Cs Cs Cd Cd Hg I I I I I I 0 3 ooo 0 3 +oo 0 3 ++o 0 6 o-o 0 6 +oo 0 10 ooo 0 10 +oo 0 9 ooo 0 9 o-o 0 7 oo- 0 4 ooo 0 8 oo- 0 5 ooo 1 10 ooo 1 2 --o 1 2 -oo 1 2 ooo 1 6 oo+ 1 8 -oo 1 8 o+o 1 4 o+o 1 5 -oo 1 5 ooo 1 7 o+o 1 7 ooo 1 9 oo+ 2 8 o+o 2 5 ooo 2 7 ++o 3 9 --o 3 10 ooo 3 6 o-o 4 10 o-o 4 6 o-o 4 7 ooo 4 9 o-o ...
11
0.074244
2.4522
2.4607
-0.836217
monoclinic
C2/m
agm004545186
Cs Cs Tl Tl Se Se S 0 1 o+o 0 5 ooo 0 5 +oo 0 4 -+o 0 4 o+o 0 6 o++ 0 6 +++ 0 2 -+o 0 2 ooo 0 2 o+o 1 6 ooo 1 6 +oo 1 3 o-o 1 3 ooo 1 3 +-o 1 5 o-o 1 5 +-o 1 4 -oo 1 4 ooo 2 4 ooo 2 6 +o+ 2 5 ooo 2 5 +oo 3 4 -oo 3 4 ooo 3 6 o+o 3 5 ooo
7
0.031805
0.1751
0.3849
-0.798655
monoclinic
C2/m
agm005091568
Er Er Tl Tl Hg Hg Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 15 ooo 0 6 ooo 0 10 ooo 0 13 ooo 0 7 ooo 0 11 ooo 1 14 ooo 1 9 ooo 1 8 ooo 1 16 ooo 1 17 ooo 1 12 ooo 2 12 --- 2 6 --o 2 7 -oo 2 9 o-- 2 17 oo- 2 15 ooo 3 16 --o 3 13 -oo 3 14 ooo 3 11 --o 3 8 o-o 3 10 ooo 4 7 -oo 4 11 -oo 4 15 o+o 4 6 ooo 4 10 ooo 4 13 o+o 5 8 o-...
18
0.016072
2.5008
2.6518
-1.838895
trigonal
P-31c
agm004873549
Hg Ge Se Se O O O O O O O O 0 9 o-o 0 10 o+o 0 5 ooo 0 11 o-o 0 8 o+o 0 7 ooo 1 11 --- 1 6 o-o 1 8 -oo 1 9 o-- 1 4 -o- 1 10 ooo 2 10 ooo 2 6 ooo 2 8 ooo 2 7 oo- 3 9 ooo 3 4 ooo 3 5 oo+ 3 11 ooo
12
0.280467
1.4887
2.0087
-1.029354
monoclinic
C2/m
agm001016704
Tl Tl Hg Hg F F 0 4 ooo 0 5 -o+ 0 5 oo+ 0 2 ooo 0 2 -oo 0 3 +oo 0 3 o+o 0 3 ooo 1 4 oo- 1 4 +o- 1 5 ooo 1 2 ooo 1 2 o-o 1 2 -oo 1 3 +oo 1 3 ooo 2 5 ooo 2 5 +oo 2 3 o+o 2 3 +oo 2 3 ++o 2 2 +oo 3 4 -oo 3 4 ooo 3 3 +oo
6
0.058807
1.6626
1.992
-1.262324
monoclinic
C2/m
agm004884811
Sm Hg S S O O O O O O O O 0 5 --o 0 4 -o- 0 10 -oo 0 9 o-- 0 11 o-o 0 8 oo- 1 6 --o 1 7 ooo 2 10 ooo 2 11 ooo 2 5 ooo 2 6 ooo 3 7 ooo 3 8 ooo 3 4 ooo 3 9 ooo
12
0.098579
0.1667
0.459
-2.263965
monoclinic
C2/m
agm003956348
Br Br Cr Hg 0 2 o-o 0 2 -oo 0 3 oo+ 0 3 -o+ 0 3 o-+ 0 3 ooo 1 2 o-o 1 2 -oo 1 3 oo+ 1 3 o+o 1 3 +oo 1 3 ooo 2 3 o++ 2 3 +o+ 2 3 o+o 2 3 +oo 3 3 +-o
4
0.095482
0.9416
1.1854
-0.42407
monoclinic
C2/m
agm005031883
Rb Rb La La Hg Hg O O O O O O 0 6 --o 0 6 o-o 0 9 -oo 0 9 ooo 0 5 --o 0 5 o-o 0 10 -oo 0 10 ooo 0 0 +oo 0 4 ooo 0 7 oo- 1 11 ooo 1 11 +oo 1 4 o+o 1 4 ++o 1 8 ooo 1 8 +oo 1 7 o+o 1 7 ++o 1 1 +oo 1 6 oo+ 1 5 ooo 2 10 -oo 2 10 ooo 2 6 -oo 2 6 ooo 2 11 oo- 3 7 ooo 3 7 +oo 3 11 ooo 3 11 +oo 3 10 oo+ 4 9 -oo 4 9 ooo 4 8 o-o ...
12
0.192311
1.045
1.0586
-2.110196
monoclinic
P2_1/m
agm004952821
Pm Nb Hg Hg O O O O O O 0 6 ooo 0 7 ooo 0 4 o+o 0 9 +oo 0 5 +oo 0 8 o+o 1 5 o-o 1 9 oo- 1 6 -oo 1 8 oo- 1 4 ooo 1 7 oo- 2 4 ooo 2 5 ooo 2 9 ooo 2 6 ooo 2 8 ooo 2 7 ooo 3 8 -oo 3 7 o-o 3 9 ooo
10
0.136944
1.432
1.432
-2.241432
trigonal
R3
agm004963321
Ca Tl Tl Hg Cl Cl Cl Cl Cl Cl 0 6 ooo 0 7 ooo 0 4 o+o 0 9 +oo 0 5 +oo 0 8 o+o 1 4 ooo 1 5 ooo 1 9 ooo 1 8 ooo 1 6 ooo 1 7 ooo 2 6 --+ 2 8 -oo 2 4 -o+ 2 7 o-o 2 9 ooo 2 5 o-+ 3 5 o-o 3 9 oo- 3 6 -oo 3 8 oo- 3 4 ooo 3 7 oo-
10
0.035933
2.565
2.7958
-1.639401
trigonal
R3
agm005074212
Cs Pm Hg Cl Cl Cl Cl Cl Cl 0 6 +-o 0 5 ooo 0 8 oo+ 0 7 +-+ 0 4 +oo 0 3 +o+ 1 7 ooo 1 5 ooo 1 4 o+o 1 3 +oo 1 6 +oo 1 8 o+o 2 4 ooo 2 3 ooo 2 6 ooo 2 8 ooo 2 7 ooo 2 5 ooo
9
0.017258
2.7427
2.7466
-2.064571
trigonal
P312
agm005069437
Hg Hg Mo Mo W W O O O O O O O O O O O O 0 10 ooo 0 10 +++ 0 13 +o+ 0 11 oo+ 0 11 ooo 0 15 ooo 0 6 ooo 0 6 +oo 0 9 ooo 0 9 +o+ 0 8 o++ 0 8 ooo 0 16 ooo 0 7 ooo 0 7 o+o 0 17 +oo 0 12 ooo 0 14 +oo 1 8 -oo 1 16 --- 1 16 ooo 1 17 ooo 1 17 oo- 1 12 -oo 1 12 ooo 1 11 -oo 1 15 -o- 1 15 ooo 1 14 ooo 1 14 o-- 1 10 ooo 1 13 o-o 1...
18
0.068756
0.4802
0.4802
-1.801524
orthorhombic
Imma
agm004953004
Pm Hg Hg Sb O O O O O O 0 6 ooo 0 7 ooo 0 4 o+o 0 9 +oo 0 5 +oo 0 8 o+o 1 4 ooo 1 5 ooo 1 6 ooo 2 8 -oo 2 7 o-o 2 9 ooo 3 5 o-o 3 9 oo- 3 6 -oo 3 8 oo- 3 4 ooo 3 7 oo-
10
0.042177
0.9756
0.9756
-1.90371
trigonal
R-3
agm002127071
Rb Rb Hg Hg Hg Hg I I 0 5 o-o 0 5 ooo 0 7 o-+ 0 7 oo+ 0 2 ooo 0 2 +o+ 0 4 oo+ 0 4 ooo 0 6 ooo 0 6 +oo 0 3 o-o 0 3 ooo 1 2 ooo 1 2 o+o 1 7 -oo 1 7 ooo 1 3 -o- 1 3 ooo 1 5 ooo 1 5 oo- 1 6 oo- 1 6 o+- 1 4 ooo 1 4 o+o 2 7 --o 2 7 -oo 2 4 -oo 2 4 ooo 2 6 ooo 2 6 oo- 2 5 o-o 2 5 ooo 3 4 ooo 3 4 o+o 3 5 ooo 3 5 +oo 3 6 +oo 3 ...
8
0.080931
0.8541
1.0797
-0.668664
monoclinic
P2_1/m
agm002127076
Rb Rb Hg Hg Hg Hg I I 0 6 ooo 0 6 +oo 0 4 oo+ 0 7 ooo 0 7 o+o 0 2 oo+ 0 2 o++ 1 3 o-o 1 3 ooo 1 6 o-o 1 6 ooo 1 7 -oo 1 7 ooo 1 5 ooo 2 4 o-o 2 4 ooo 2 5 ooo 2 5 +oo 2 7 ooo 2 3 +-o 2 3 +oo 2 6 +o- 2 6 +-- 3 4 -oo 3 4 ooo 3 5 ooo 3 5 o+o 3 6 oo- 3 7 -+o 3 7 -oo 4 5 ooo 4 5 o+o 4 7 ooo 4 7 o+o 5 6 o-- 5 6 oo-
8
0.075613
1.7448
2.1816
-0.673983
monoclinic
P2_1/m
agm002576045
I Hg Hg Hg Rb 0 3 -oo 0 3 ooo 0 1 o-o 0 1 ooo 0 2 oo- 0 2 ooo 1 4 ooo 1 4 oo- 1 4 -oo 1 4 -o- 2 4 ooo 2 4 o-o 2 4 -oo 2 4 --o 3 4 ooo 3 4 oo- 3 4 o-o 3 4 o--
5
0.467004
0.4761
0.4967
-0.132673
cubic
Pm-3m
agm005087827
Li Li Pm Pm Hg Hg F F F F F F F F F F F F 0 12 ooo 0 8 ooo 0 15 ooo 0 14 ooo 0 13 ooo 0 9 ooo 1 16 --o 1 11 -oo 1 7 -oo 1 10 o-o 1 6 o-o 1 17 ooo 2 8 oo- 2 17 ooo 2 10 ooo 2 11 ooo 2 9 oo- 2 16 ooo 3 13 --o 3 7 -oo 3 14 -oo 3 6 o-o 3 15 o-o 3 12 ooo 4 17 ooo 4 12 ooo 4 6 ooo 4 7 ooo 4 16 ooo 4 13 ooo 5 9 --o 5 14 -oo 5...
18
0.091544
3.193
3.434
-3.181304
tetragonal
P4_2nm
agm002940892
I I Hg Rb Rb 0 3 -oo 0 3 ooo 0 4 o-o 0 4 ooo 0 2 oo+ 0 2 ++o 0 2 +oo 0 2 o+o 0 2 ooo 1 4 ooo 1 4 +oo 1 3 ooo 1 3 o+o 1 2 ++o 1 2 +++ 1 2 +o+ 1 2 o++ 1 2 oo+ 2 3 -o- 2 3 --o 2 3 oo- 2 3 -oo 2 4 --o 2 4 o-- 2 4 oo- 2 4 o-o
5
0.13187
3.474
3.4952
-1.067484
tetragonal
I4/mmm
agm004860300
Li Li Ce Hg S S S S 0 4 o-o 0 6 --+ 0 6 o-+ 0 7 -oo 0 7 ooo 0 5 -o+ 1 6 o-o 1 4 o-o 1 4 +-o 1 5 -oo 1 5 ooo 1 7 ooo 2 5 -oo 2 7 -oo 2 7 ooo 2 6 -oo 2 6 ooo 2 4 ooo 3 7 ooo 3 5 -o+ 3 5 oo+ 3 4 ooo 3 4 +oo 3 6 oo+
8
0.065995
0.3768
0.381
-1.468952
monoclinic
P2/m
agm005208888
Li Hg S Cl 0 3 ooo 0 3 o+o 0 3 +oo 0 2 ooo 1 2 ooo 1 2 +oo 1 2 o+o 1 3 ++-
4
0.0692
0.6198
0.6198
-1.224547
trigonal
R3m
agm005026691
Cs Cs Sc Sc Hg Hg Te Te Te Te Te Te 0 6 --o 0 6 o-o 0 9 -oo 0 9 ooo 0 5 --o 0 5 o-o 0 10 -oo 0 10 ooo 0 0 +oo 0 4 ooo 0 7 oo- 1 11 ooo 1 11 +oo 1 4 o+o 1 4 ++o 1 8 ooo 1 8 +oo 1 7 o+o 1 7 ++o 1 1 +oo 1 6 oo+ 1 5 ooo 2 10 -oo 2 10 ooo 2 6 -oo 2 6 ooo 2 11 oo- 2 8 ooo 3 7 ooo 3 7 +oo 3 11 ooo 3 11 +oo 3 9 ooo 3 10 oo+ 4 ...
12
0.017962
0.8921
0.8981
-0.873181
monoclinic
P2_1/m
agm005024776
Cs Cs Cd Cd Bi Bi Se Se Se Se Se Se 0 6 --o 0 6 o-o 0 9 -oo 0 9 ooo 0 3 --o 0 3 o-o 0 10 -oo 0 10 ooo 0 0 +oo 0 2 ooo 0 7 oo- 1 11 ooo 1 11 +oo 1 2 o+o 1 2 ++o 1 8 ooo 1 8 +oo 1 7 o+o 1 7 ++o 1 1 +oo 1 6 oo+ 1 3 ooo 2 9 -oo 2 9 ooo 2 8 o-o 2 7 ooo 3 8 ooo 3 8 +oo 3 6 ooo 3 9 o+o 4 10 -oo 4 10 ooo 4 6 -oo 4 6 ooo 4 11 o...
12
0.010042
1.6318
1.761
-0.737674
monoclinic
P2_1/m
agm001614337
Cs Cs I K Se 0 4 ooo 0 4 o+o 0 2 ooo 0 2 oo- 0 2 -oo 0 2 -o- 1 4 ooo 1 4 +oo 1 2 ooo 1 2 oo- 1 2 o-o 1 2 o-- 2 3 ooo 2 3 o+o 2 3 +oo 2 3 ++o 3 4 ooo 3 4 oo+
5
0.123607
1.2541
1.2541
-1.154195
tetragonal
P4/mmm
agm005100243
Cs Er Hg I I I I I I 0 6 ooo 0 8 o++ 0 5 o+o 0 7 +o+ 0 4 +oo 0 3 o++ 1 5 ooo 1 7 ooo 1 4 ooo 1 3 ooo 1 6 ooo 1 8 o+o 2 6 -oo 2 8 ooo 2 5 ooo 2 7 ooo
9
0.040837
1.8841
1.8968
-1.039831
triclinic
P1
agm003138481
S S S S S S S S Hg Hg Hg Hg Pt Pt Pt Pt 0 12 ooo 0 15 ooo 0 11 o+- 0 10 ooo 1 10 o-o 1 11 ooo 1 14 ooo 1 13 ooo 2 13 -oo 2 9 -oo 2 8 ooo 2 14 ooo 3 15 ooo 3 8 +o- 3 9 ooo 3 12 +oo 4 9 -oo 4 13 -+o 4 10 ooo 4 12 oo+ 5 11 oo- 5 13 ooo 5 12 +-o 5 8 +o- 6 8 oo- 6 14 ooo 6 11 oo- 6 15 ooo 7 14 ooo 7 10 ooo 7 9 ooo 7 15 oo+
16
0.28329
0.025
0.0806
-0.339227
orthorhombic
Pna2_1
agm005645048
Rb Rb Hg Hg I I 0 3 ooo 0 3 +oo 0 4 o-o 0 4 ooo 0 4 +-o 0 4 +oo 0 5 ooo 0 2 o-+ 0 2 oo+ 1 3 oo- 1 3 o+- 1 5 -oo 1 5 -+o 1 5 ooo 1 5 o+o 1 2 -oo 1 2 ooo 1 4 ooo 2 3 oo- 2 3 o+- 2 3 +o- 2 3 ++- 2 4 oo- 2 4 +o- 2 5 ooo 2 5 o+o 3 4 o-o 3 4 ooo 3 5 -o+ 3 5 oo+
6
0.057593
1.8033
2.3507
-0.941868
monoclinic
C2/m
agm003606855
Rb Rb Hg Hg S S 0 2 ooo 0 2 o+o 0 4 -oo 0 4 -+o 0 4 ooo 0 4 o+o 0 5 ooo 0 3 oo+ 0 3 o++ 1 5 o-o 1 5 ooo 1 5 +-o 1 5 +oo 1 2 o-- 1 2 oo- 1 3 o-o 1 3 ooo 1 4 ooo 2 4 -oo 2 5 oo+ 2 3 -o+ 2 3 oo+ 3 4 oo- 3 5 +oo
6
0.145727
1.3189
1.3255
-0.788581
orthorhombic
Immm
agm004676383
Rb Rb Rb Cd Cd Hg F F F F F F F F F 0 13 oo+ 0 7 -oo 0 7 ooo 0 6 -oo 0 6 o+o 0 11 ooo 0 8 o+o 0 8 ooo 0 10 ooo 0 14 oo+ 0 9 ooo 0 12 o++ 1 14 --o 1 14 ooo 1 9 --o 1 6 -o- 1 13 ooo 1 13 o-o 1 12 -oo 1 12 ooo 1 7 --- 1 11 o-o 1 8 oo- 1 10 ooo 2 12 ooo 2 11 o-o 2 11 +oo 2 8 ooo 2 14 ooo 2 10 ooo 2 10 +oo 2 9 ooo 2 9 o-o 2...
15
0.007755
2.0878
2.443
-2.565581
trigonal
P-3m1
agm005059803
Na Na Li Li Hg Hg Cl Cl Cl Cl Cl Cl Cl Cl 0 7 o-- 0 11 --o 0 13 -o- 0 10 o-o 0 12 oo- 0 8 -oo 1 9 ooo 1 13 -oo 1 11 -oo 1 12 ooo 1 10 ooo 1 6 -oo 2 7 o-o 2 9 ooo 2 12 ooo 2 11 o-o 2 6 o-o 2 8 ooo 3 10 o-o 3 6 --o 3 8 -oo 3 7 o-o 3 9 ooo 3 13 -oo 4 10 ooo 4 8 ooo 4 6 oo- 4 11 ooo 5 12 ooo 5 9 oo+ 5 7 ooo 5 13 ooo
14
0.029362
2.3799
2.3799
-1.60804
orthorhombic
Imma
agm005683217
Sn Sn Hg Hg Hg Hg Se Se Se Se Se 0 6 --o 0 6 -oo 0 6 o-o 0 8 -oo 0 8 o-o 0 8 ooo 1 8 ooo 1 8 o+o 1 8 +oo 1 10 o+o 1 10 +oo 1 10 ++o 2 9 ooo 2 9 +oo 2 9 o+o 2 7 oo+ 2 5 oo+ 2 5 o++ 2 5 +o+ 3 10 ooo 3 10 o+o 3 10 +oo 3 7 ooo 4 9 ooo 4 6 -oo 4 6 o-o 4 6 ooo 5 7 o-o 5 7 -oo 5 7 ooo 5 9 oo-
11
0.100093
0.0614
0.1787
-0.171408
trigonal
R-3m
agm004909995
Ca Cu Hg Hg F F F F F F F F 0 10 --o 0 10 o-o 0 11 -oo 0 11 ooo 0 6 -oo 0 7 -oo 0 4 o-o 0 9 o-o 1 5 --o 1 6 -oo 1 9 o-- 1 8 oo- 2 7 -oo 2 7 ooo 2 8 ooo 2 9 ooo 2 9 +oo 2 11 ooo 2 10 ooo 2 5 oo+ 3 8 oo- 3 6 -oo 3 6 ooo 3 11 ooo 3 10 ooo 3 4 ooo 3 4 +oo 3 5 ooo 4 6 -oo 4 6 -+o 4 5 -oo 4 10 -oo 4 10 ooo 6 11 +oo 6 11 ooo ...
12
0.027025
1.0238
1.1678
-2.359313
triclinic
P-1
agm005087853
Na Na Sc Sc Hg Hg F F F F F F F F F F F F 0 12 --- 0 6 --o 0 7 -oo 0 9 o-- 0 17 oo- 0 15 ooo 1 16 --o 1 13 -oo 1 14 ooo 1 11 --o 1 8 o-o 1 10 ooo 2 15 ooo 2 10 ooo 2 6 ooo 2 7 ooo 2 13 ooo 2 11 ooo 3 14 ooo 3 8 ooo 3 9 ooo 3 17 ooo 3 16 ooo 3 12 ooo 4 7 -oo 4 11 -oo 4 15 o+o 4 6 ooo 4 10 ooo 4 13 o+o 5 8 o-o 5 16 ooo 5...
18
0.039002
3.2425
3.2425
-3.12989
trigonal
P-31c
agm005091161
Na Na Pr Pr Hg Hg Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 12 --- 0 6 --o 0 7 -oo 0 9 o-- 0 17 oo- 0 15 ooo 1 16 --o 1 13 -oo 1 14 ooo 1 11 --o 1 8 o-o 1 10 ooo 2 7 -oo 2 11 -oo 2 15 o+o 2 6 ooo 2 10 ooo 2 13 o+o 3 8 o-o 3 16 ooo 3 17 ooo 3 12 o-o 3 14 +oo 3 9 +oo 4 15 ooo 4 6 ooo 4 10 ooo 4 13 ooo 4 7 ooo 4 11 ooo 5 14 o...
18
0.051708
2.8456
2.8456
-1.968832
trigonal
P-31c
agm004786945
Li In Hg Hg Cl Cl Cl Cl 0 5 oo+ 0 4 ooo 0 7 ooo 0 6 +o+ 0 2 +o+ 0 3 +oo 0 3 +++ 0 3 +o+ 0 3 ooo 1 4 ooo 1 6 ooo 1 5 ooo 1 7 o+o 1 2 oo- 1 2 +oo 1 2 o-- 1 2 ooo 1 3 +++ 1 3 oo- 2 3 ooo 2 3 o+o 2 3 o++ 2 3 +++ 2 5 -oo 2 5 o++ 2 6 oo+ 2 6 ooo 2 7 -+o 2 7 o++ 2 4 o++ 2 4 ooo 3 4 --- 3 4 ooo 3 7 -oo 3 7 -o- 3 5 -oo 3 5 oo+ ...
8
0.091049
2.3159
2.3159
-1.215097
triclinic
P1
agm002470308
Te Hg F F F 0 3 ooo 0 3 o+o 0 3 +oo 0 3 ++o 0 2 ooo 0 2 oo+ 0 2 +oo 0 2 +o+ 0 4 ooo 0 4 oo+ 0 4 o+o 0 4 o++ 1 4 -oo 1 4 ooo 1 2 o-o 1 2 ooo 1 3 oo- 1 3 ooo
5
0.792383
0.4232
0.724
-1.094015
cubic
Pm-3m
agm001327760
Sb Na Hg Cd 0 3 ooo 0 3 +oo 0 3 o+o 0 3 oo+ 0 2 oo+ 0 2 o+o 0 2 +oo 0 2 +o+ 0 2 ++o 0 2 o++ 0 1 -oo 0 1 o-o 0 1 oo- 0 1 ooo 1 3 oo+ 1 3 o+o 1 3 +oo 1 3 +o+ 1 3 ++o 1 3 o++ 1 2 o++ 1 2 +o+ 1 2 ++o 1 2 +++ 2 3 -oo 2 3 o-o 2 3 oo- 2 3 ooo
4
0.085467
0.374
0.374
-0.166397
cubic
F-43m
agm004875662
Sr Be Be Hg F F F F F F F F 0 6 --o 0 10 -oo 0 4 -oo 0 11 o-o 0 9 o-o 0 7 ooo 1 10 ooo 1 11 ooo 1 5 ooo 1 6 ooo 2 7 ooo 2 8 ooo 2 4 ooo 2 9 ooo 3 5 --o 3 4 -o- 3 10 -oo 3 9 o-- 3 11 o-o 3 8 oo-
12
0.02504
3.5368
3.7868
-3.26961
monoclinic
C2/m
agm005088506
Sr Sr Hg Hg Pb Pb F F F F F F F F F F F F 0 7 -oo 0 11 -oo 0 15 o+o 0 6 ooo 0 10 ooo 0 13 o+o 1 8 o-o 1 16 ooo 1 17 ooo 1 12 o-o 1 14 +oo 1 9 +oo 2 15 ooo 2 10 ooo 2 6 ooo 2 7 ooo 2 13 ooo 2 11 ooo 3 14 ooo 3 8 ooo 3 9 ooo 3 17 ooo 3 16 ooo 3 12 ooo 4 12 --- 4 6 --o 4 7 -oo 4 9 o-- 4 17 oo- 4 15 ooo 5 16 --o 5 13 -oo 5...
18
0.066019
2.7944
2.9474
-2.832885
trigonal
P-31c
agm005061170
Pm Pm Hg Hg Bi Bi O O O O O O O O 0 13 o-o 0 12 ooo 0 7 o-o 0 11 ooo 0 8 o-o 0 6 ooo 1 10 o-- 1 7 o-o 1 12 oo- 1 8 o-o 1 11 oo- 1 9 ooo 2 10 ooo 2 13 ooo 2 11 o+o 2 7 o-o 2 6 ooo 2 9 ooo 3 8 --o 3 6 -oo 3 9 -oo 3 10 ooo 3 13 ooo 3 12 o+o 4 8 ooo 4 6 oo- 4 9 ooo 4 7 +oo 5 11 -oo 5 10 ooo 5 13 oo+ 5 12 ooo
14
0.131871
1.3982
1.4864
-2.029548
orthorhombic
Imma
agm004543538
Cs Cs Hg I I Cl Cl 0 4 --o 0 4 -oo 0 4 o-o 0 4 ooo 0 5 oo+ 0 5 +o+ 0 3 ooo 0 6 oo+ 0 6 o++ 0 1 oo+ 1 6 ooo 1 6 o+o 1 3 ooo 1 3 o+o 1 3 +oo 1 3 ++o 1 5 ooo 1 5 +oo 1 4 ooo 2 6 -oo 2 6 ooo 2 5 o-o 2 5 ooo 2 4 --- 2 3 ooo
7
0.023857
1.4635
1.8944
-1.394656
tetragonal
I4/mmm
agm004947890
Pm Pm Hg Pt O O O O O O 0 4 ooo 0 9 ooo 0 5 ooo 0 6 ooo 0 8 ooo 0 7 ooo 1 6 --+ 1 8 -oo 1 4 -o+ 1 7 o-o 1 9 ooo 1 5 o-+ 2 7 ooo 2 9 +oo 2 8 o+o 3 9 ooo 3 5 o-+ 3 6 -o+ 3 8 ooo 3 7 ooo 3 4 oo+
10
0.105147
1.0617
1.3017
-2.305699
trigonal
R3
agm006444715
Hf Hf Hg H H H H H H H H 0 7 ooo 0 7 oo+ 0 10 -oo 0 6 o+o 0 4 o+o 0 8 ooo 0 3 ooo 0 9 ooo 0 5 ooo 1 8 ooo 1 4 ooo 1 10 ooo 1 5 ooo 1 6 ooo 1 6 oo+ 1 9 o-o 1 7 +oo 1 3 +oo 2 3 ooo 2 4 ooo 3 9 --o 3 6 -o+ 3 7 ooo 3 7 oo+ 3 10 -oo 3 8 ooo 4 8 ooo 4 10 --o 4 7 o-+ 4 6 ooo 4 6 oo+ 4 9 o-o 5 9 ooo 5 8 ooo 5 8 oo+ 5 10 ooo 5 ...
11
0.165767
0.5562
0.8704
-0.199592
monoclinic
Cm
agm004940504
Cs Cs Cs Cs Ce Ce Hg Hg Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 17 ooo 0 18 o+o 0 12 ooo 0 10 ooo 0 10 +oo 0 16 ooo 0 19 o+o 0 8 o+o 0 13 ooo 1 13 --o 1 19 -o+ 1 9 -oo 1 9 ooo 1 15 -oo 1 12 o-o 1 18 oo+ 1 11 o-o 1 14 ooo 2 17 oo+ 2 12 ooo 2 11 ooo 2 11 +oo 2 18 o++ 2 16 oo+ 2 9 o+o 2 13 ooo 2 19 o++ 3 19 -oo 3 8 -oo 3 8 ...
20
0.041142
0.7691
0.7699
-2.166388
orthorhombic
Pmmn
agm004472367
Cs Cs Hf Hg Cl Cl Cl Cl Cl Cl 0 8 ooo 0 8 oo+ 0 9 o-+ 0 9 +oo 0 5 o-o 0 5 ooo 0 7 ooo 0 7 o-+ 0 4 ooo 0 4 +oo 0 6 oo+ 0 6 +oo 1 9 ooo 1 9 oo+ 1 8 -o+ 1 8 o+o 1 5 -oo 1 5 ooo 1 6 o+o 1 6 oo+ 1 7 -o+ 1 7 ooo 1 4 ooo 1 4 o+o 2 5 oo- 2 6 ooo 2 9 ooo 2 8 ooo 2 7 ooo 2 4 ooo 3 7 --o 3 5 --o 3 8 -oo 3 9 o-o 3 4 oo- 3 6 ooo
10
0.079599
2.7085
2.7085
-2.107196
cubic
Fm-3m
agm005041756
Rb Rb Hg Hg As As Se Se Se Se Se Se 0 6 --o 0 6 o-o 0 9 -oo 0 9 ooo 0 3 --o 0 3 o-o 0 10 -oo 0 10 ooo 0 0 +oo 0 2 ooo 0 7 oo- 1 11 ooo 1 11 +oo 1 2 o+o 1 2 ++o 1 8 ooo 1 8 +oo 1 7 o+o 1 7 ++o 1 1 +oo 1 6 oo+ 1 3 ooo 2 9 -oo 2 9 ooo 2 8 o-o 2 7 ooo 3 8 ooo 3 8 +oo 3 6 ooo 3 9 o+o 4 10 -oo 4 10 ooo 4 6 -oo 4 6 ooo 4 11 o...
12
0.049932
0.6242
0.635
-0.437345
monoclinic
P2_1/m
agm004473769
Cs Cs Cl Cl Cl Cl Cl Cl Hg Ti 0 6 ooo 0 6 oo+ 0 7 o-+ 0 7 +oo 0 5 ooo 0 5 o-+ 0 2 ooo 0 2 +oo 0 4 oo+ 0 4 +oo 0 3 o-o 0 3 ooo 1 7 ooo 1 7 oo+ 1 6 -o+ 1 6 o+o 1 4 o+o 1 4 oo+ 1 5 -o+ 1 5 ooo 1 3 -oo 1 3 ooo 1 2 ooo 1 2 o+o 2 9 ooo 2 8 oo+ 3 9 oo+ 3 8 ++o 4 9 ooo 4 8 ooo 5 9 ooo 5 8 ++o 6 9 ooo 6 8 +oo 7 9 ooo 7 8 o+o
10
0.068283
0.8734
0.9038
-1.946758
cubic
Fm-3m
agm005032503
Tl Tl Tl Tl Tl Tl Hg Hg S S F F 0 8 ooo 0 8 +oo 0 11 ooo 0 6 ++o 0 6 o+o 0 7 oo- 1 9 -oo 1 9 ooo 1 10 ooo 1 6 oo+ 1 7 o-o 1 7 --o 2 11 -oo 2 11 ooo 2 10 o+o 2 7 ooo 2 7 -oo 2 8 ooo 3 10 ooo 3 10 +oo 3 11 o-o 3 6 +oo 3 6 ooo 3 9 ooo 4 8 ooo 4 8 +oo 4 9 oo- 4 6 +oo 4 6 ooo 5 9 -oo 5 9 ooo 5 8 oo+ 5 7 ooo 5 7 -oo 6 11 --o...
12
0.013893
1.0246
1.3536
-0.928813
monoclinic
P2_1/m
agm004958581
Tl Tl Tl Tl Tl Tl Hg Se S S 0 7 ooo 0 5 ooo 0 9 +o- 0 8 ooo 0 3 o-o 1 9 o+- 1 8 ooo 1 3 ooo 1 7 o+o 1 4 -+o 2 8 ooo 2 4 ooo 2 7 +oo 2 9 ++- 2 5 +oo 3 7 oo+ 3 9 o+o 3 6 ooo 4 6 o-o 4 7 oo+ 4 9 +oo 5 9 ooo 5 6 -oo 5 7 oo+ 6 8 oo+
10
0.063376
0.3861
0.9228
-0.386463
triclinic
P1
agm004985276
Pm Pm Hg Ge O O O O O O 0 5 oo- 0 4 ooo 0 8 oo- 0 9 ooo 0 6 +o- 0 6 +oo 1 9 o-o 1 8 o-o 1 4 ooo 1 5 ooo 1 6 +-o 1 6 +oo 2 6 ooo 2 4 ooo 2 5 ooo 2 9 ooo 2 8 ooo 3 7 ooo 3 8 o-- 3 9 o-o 3 5 oo- 3 4 ooo 4 9 o-o 4 5 oo- 4 6 +oo 5 8 o-o 5 6 +oo 6 9 -oo 6 8 -oo 8 9 oo+
10
0.217682
1.31
1.3223
-2.547218
tetragonal
P4mm
agm001277904
Hg O Cd 0 1 --o 0 1 --+ 0 1 o-o 0 1 o-+ 0 1 ooo 0 1 oo+ 0 0 ++o 0 0 o+o 0 0 +oo 0 2 -oo 0 2 -o+ 0 2 --o 0 2 --+ 0 2 ooo 0 2 oo+ 1 2 -oo 1 2 ooo 1 2 o+o
3
0.17593
0.3349
0.3377
-0.73531
trigonal
P3m1
agm005062103
Ca Ca Hg Hg Se Se O O O O O O O O 0 7 o-- 0 11 --o 0 13 -o- 0 10 o-o 0 12 oo- 0 8 -oo 1 9 ooo 1 13 -oo 1 11 -oo 1 12 ooo 1 10 ooo 1 6 -oo 2 7 o-o 2 9 ooo 2 6 o-o 2 8 ooo 3 6 --o 3 8 -oo 3 7 o-o 3 9 ooo 4 10 ooo 4 11 ooo 4 6 oo- 4 8 ooo 5 12 ooo 5 13 ooo 5 7 ooo 5 9 oo+
14
0.299234
0.4436
0.4436
-1.535405
orthorhombic
Imma
agm002888614
Hg Hg Se Se Se Se Cd Cd 0 5 --- 0 2 -oo 0 3 o-o 0 4 oo- 1 2 ooo 1 4 ooo 1 5 o-o 1 3 +oo 2 7 o-o 2 6 ooo 3 6 ooo 3 7 ooo 4 7 ooo 4 6 oo+ 5 6 oo+ 5 7 +oo
8
0.003854
0.0119
0.0119
-0.410863
tetragonal
I-42d
agm004637767
Cs Cs Cs Nd Sc Sc Se Se Se Se Se Se 0 7 -oo 0 6 -oo 0 2 -oo 0 2 ooo 0 2 o+o 0 10 o+o 0 1 -+o 0 1 -oo 0 1 o+o 0 8 ooo 0 9 ooo 0 11 o+o 1 9 o-o 1 2 o-o 1 2 ooo 1 2 +oo 1 11 ooo 1 6 ooo 1 7 o-o 1 8 +oo 1 10 +oo 2 10 ooo 2 8 ooo 2 9 ooo 2 11 ooo 2 6 ooo 2 7 ooo 3 7 --o 3 9 --- 3 8 ooo 3 6 --- 3 11 ooo 3 10 oo- 4 6 -o- 4 8 ...
12
0.014242
1.5897
1.9786
-1.605551
monoclinic
C2/m
agm001240985
In Hg Pm 0 2 --o 0 2 -o- 0 2 o-- 0 2 o-o 0 2 oo- 0 2 -oo 0 1 -oo 0 1 o-o 0 1 oo- 0 1 ooo 1 2 -oo 1 2 o-o 1 2 oo- 1 2 ooo
3
0.027151
0.0794
0.2692
-0.449722
cubic
F-43m
agm001264834
Cs Se Li 0 2 ooo 0 2 o+o 0 2 o++ 0 2 +oo 0 2 ++o 0 2 +++ 0 1 oo- 0 1 ooo 0 1 o+o 0 1 +o- 0 1 +oo 0 1 ++o 1 2 oo+ 1 2 ooo 1 2 o++
3
0.050808
2.0287
2.0577
-1.127287
hexagonal
P-6m2
agm005055114
Rb Rb Na Na Hg Hg I I I I I I I I 0 11 ooo 0 11 o+o 0 12 ooo 0 10 oo+ 0 6 +oo 0 8 oo+ 0 9 +oo 0 4 +o+ 0 7 o++ 1 9 o-- 1 7 -oo 1 6 oo- 1 5 -o- 1 8 -oo 1 10 o-o 1 10 ooo 1 11 oo- 1 13 ooo 2 10 ooo 2 12 ooo 2 8 ooo 2 6 +oo 2 7 o+o 2 9 +oo 3 7 -oo 3 9 o-o 3 8 -oo 3 6 ooo 3 13 ooo 3 11 ooo 4 8 -oo 4 7 -+o 4 10 ooo 4 12 ooo ...
14
0.026975
2.0321
2.0321
-0.893133
monoclinic
P2_1/m
agm004638897
Cs Cs Cs La Pm Pm Se Se Se Se Se Se 0 7 -oo 0 2 -oo 0 2 ooo 0 2 o+o 0 6 -oo 0 10 o+o 0 1 -+o 0 1 -oo 0 1 o+o 0 8 ooo 0 9 ooo 0 11 o+o 1 2 o-o 1 2 ooo 1 2 +oo 1 9 o-o 1 11 ooo 1 6 ooo 1 7 o-o 1 8 +oo 1 10 +oo 2 10 ooo 2 8 ooo 2 9 ooo 2 11 ooo 2 6 ooo 2 7 ooo 3 7 --o 3 9 --- 3 8 ooo 3 6 --- 3 11 ooo 3 10 oo- 4 6 -o- 4 8 ...
12
0.00146
2.0438
2.2814
-1.754568
monoclinic
C2/m
agm002741117
Hg Sn Ba Ba 0 2 ooo 0 2 +oo 0 2 o+o 0 2 oo+ 0 3 oo- 0 3 o-o 0 3 -oo 0 3 ooo 0 1 +oo 0 1 o+o 0 1 oo+ 0 1 ++o 0 1 +o+ 0 1 o++ 1 3 --- 1 3 o-- 1 3 -o- 1 3 --o 1 2 oo- 1 2 o-o 1 2 -oo 1 2 ooo 2 3 o-- 2 3 -o- 2 3 --o 2 3 oo- 2 3 o-o 2 3 -oo
4
0
0.1573
0.2963
-0.634825
cubic
Fm-3m
agm005099552
Rb Tb Hg I I I I I I 0 6 ooo 0 8 oo+ 0 5 o+o 0 4 +oo 0 7 +o+ 0 3 o++ 1 7 ooo 1 5 ooo 1 4 ooo 1 3 ooo 1 6 ooo 1 8 ooo 2 4 o-o 2 3 -oo 2 6 -oo 2 8 o-o 2 7 ooo 2 5 ooo
9
0.045466
1.4652
1.4721
-1.017799
trigonal
P312
agm005088466
Co Co Hg Hg Pb Pb F F F F F F F F F F F F 0 15 ooo 0 6 ooo 0 10 ooo 0 13 ooo 0 7 ooo 0 11 ooo 1 14 ooo 1 9 ooo 1 8 ooo 1 16 ooo 1 17 ooo 1 12 ooo 2 7 -oo 2 11 -oo 2 15 o+o 2 6 ooo 2 10 ooo 2 13 o+o 3 8 o-o 3 16 ooo 3 17 ooo 3 12 o-o 3 14 +oo 3 9 +oo 4 12 --- 4 6 --o 4 7 -oo 4 9 o-- 4 17 oo- 4 15 ooo 5 16 --o 5 13 -oo 5...
18
0.017212
1.9536
2.072
-2.261482
trigonal
P-31c
agm005864185
Ba Ba Ba Ba Hg Hg O O O O O O 0 7 ooo 0 11 ooo 0 6 ooo 0 10 +oo 0 9 ooo 1 6 ooo 1 8 oo+ 1 9 ooo 1 7 o+o 1 11 o+o 2 8 o-o 2 6 o-o 2 10 ooo 2 11 oo- 2 7 ooo 3 10 ooo 3 9 -oo 3 7 ooo 3 8 ooo 3 6 ooo 4 9 -oo 4 8 o-+ 5 11 o+- 5 10 +oo
12
0.059036
1.9103
2.0708
-2.188841
monoclinic
C2/c
agm005837984
Hg Hg Hg Hg O O F F F F F F 0 9 ooo 0 9 +oo 0 8 ooo 0 10 ooo 0 10 +oo 0 7 ooo 0 6 oo- 1 8 -oo 1 8 ooo 1 9 oo+ 1 6 -oo 1 6 ooo 1 11 ooo 1 10 ooo 2 4 -oo 2 4 ooo 2 7 --o 2 9 ooo 2 8 -oo 2 8 ooo 2 11 ooo 3 10 ooo 3 10 +oo 3 7 ooo 3 5 ooo 3 5 +oo 3 6 ooo 3 11 ++o 4 5 o-- 4 8 ooo 5 10 ooo 6 9 oo+ 6 9 +o+ 6 10 ooo 6 10 +oo 6...
12
0.10395
0.0612
0.0618
-1.364667
monoclinic
C2/m
agm005005980
Cs Cs Tl Tl Zn Zn Se Se Se Se 0 4 ooo 0 4 oo+ 0 9 o-o 0 9 ooo 0 8 o-o 0 8 ooo 0 1 --o 0 1 -oo 0 1 o-o 0 1 ooo 0 5 ooo 0 5 oo+ 0 7 -oo 0 7 ooo 0 6 -oo 0 6 ooo 0 3 ooo 0 3 oo+ 1 9 ooo 1 9 +oo 1 2 ooo 1 2 oo+ 1 8 ooo 1 8 +oo 1 5 +oo 1 5 +o+ 1 7 ooo 1 7 o+o 1 6 ooo 1 6 o+o 1 4 ++o 1 4 +++ 2 3 ooo 2 3 o+o 2 8 oo- 2 9 ooo 2 ...
10
0.176247
0.6068
0.6068
-0.601064
orthorhombic
Pmma
agm005831711
Hg Hg Hg Hg Hg Hg S S Br Br Br Br 0 9 ooo 0 7 ooo 0 3 ooo 0 4 oo+ 1 6 ooo 1 10 ooo 1 3 oo- 1 4 ooo 2 7 ooo 2 11 ooo 2 3 ooo 3 7 --o 3 6 oo+ 3 8 ooo 3 9 ooo 3 9 o-o 3 11 ooo 4 5 ooo 4 10 o+o 4 10 ooo 4 8 ooo 4 11 ooo 4 7 oo- 4 6 ++o 5 8 ooo 5 6 ooo
12
0.078914
1.8731
1.9025
-0.345488
triclinic
P-1
agm005831795
Hg Hg Hg Hg Hg Hg S S Cl Cl Cl Cl 0 9 ooo 0 7 ooo 0 3 o+o 1 6 ooo 1 10 ooo 1 4 o-o 2 11 ooo 2 7 ooo 2 3 ooo 3 9 o-o 3 9 +oo 3 7 ooo 3 7 o-o 3 10 oo+ 3 4 +-+ 3 8 +oo 4 10 -oo 4 10 o+o 4 11 -oo 4 6 o+o 4 6 ooo 4 9 oo- 4 5 ooo 5 6 ooo 5 8 ooo
12
0.08296
1.957
2.0313
-0.631042
triclinic
P-1
agm004569806
Cs Cs Ge Ge Pb Se Se Se Se Se Se 0 5 ooo 0 9 ooo 0 9 o+o 0 2 ooo 0 2 o+o 0 2 +oo 0 10 o+o 0 10 +oo 0 8 ooo 0 8 +oo 0 6 +oo 0 7 o+o 1 6 o-o 1 6 ooo 1 7 -oo 1 7 ooo 1 8 o-o 1 5 -oo 1 5 o-o 1 3 -oo 1 3 o-o 1 3 ooo 1 9 -oo 1 10 ooo 2 10 ooo 2 9 ooo 2 8 ooo 3 7 ooo 3 6 ooo 3 5 ooo 4 5 --o 4 9 -o- 4 8 o-- 4 6 o-o 4 10 oo- 4 ...
11
0.1472
0.0505
0.1127
-0.556447
trigonal
R-3m
agm005029445
Cs Cs Zr Zr Ag Ag Se Se Se Se Se Se 0 8 o-o 0 8 oo+ 0 9 ooo 0 9 oo- 0 6 ooo 0 6 +oo 0 2 ooo 0 2 +oo 0 4 ooo 0 4 +oo 0 10 +-o 0 10 +o+ 0 11 o-o 0 11 ooo 0 5 o-o 0 5 ooo 0 5 oo+ 0 3 o-- 0 3 o-o 0 3 ooo 0 7 +oo 0 7 +o- 1 7 oo- 1 7 o+o 1 10 oo+ 1 10 ooo 1 11 -oo 1 11 ooo 1 3 -oo 1 3 ooo 1 5 -oo 1 5 ooo 1 9 oo- 1 9 o+o 1 2 ...
12
0.070124
0.5126
0.5488
-1.005166
orthorhombic
Cmcm
agm005053125
Cs Cs Sr Sr Nb Nb Se Se Se Se Se Se Se Se 0 11 ooo 0 11 o+o 0 12 ooo 0 10 oo+ 0 6 +oo 0 8 oo+ 0 9 +oo 0 4 +o+ 0 7 o++ 1 9 o-- 1 7 -oo 1 6 oo- 1 5 -o- 1 8 -oo 1 10 o-o 1 10 ooo 1 11 oo- 1 13 ooo 2 10 ooo 2 4 ooo 2 4 +oo 2 12 ooo 2 8 ooo 2 6 +oo 2 7 o+o 2 9 +oo 3 7 -oo 3 9 o-o 3 8 -oo 3 6 ooo 3 5 -oo 3 5 ooo 3 13 ooo 3 1...
14
0.000109
1.6808
1.7168
-1.291825
monoclinic
P2_1/m
agm001914823
Cs I Hg Cd 0 2 ooo 0 2 +oo 0 2 o+o 0 2 oo+ 0 3 oo+ 0 3 o+o 0 3 +oo 0 3 +o+ 0 3 ++o 0 3 o++ 0 1 o++ 0 1 +o+ 0 1 ++o 0 1 +++ 1 2 --o 1 2 -o- 1 2 o-- 1 2 o-o 1 2 oo- 1 2 -oo 1 3 -oo 1 3 o-o 1 3 oo- 1 3 ooo 2 3 ooo 2 3 +oo 2 3 o+o 2 3 oo+
4
0.217825
2.0049
2.2732
-0.557215
cubic
F-43m
agm002136101
Sr Sr Sr Sr As As As As Hg Hg 0 9 -o- 0 9 oo- 0 4 ooo 0 4 +oo 0 7 -o- 0 7 oo- 0 8 o+o 0 8 ++o 0 5 ooo 1 8 ooo 1 8 +oo 1 4 ooo 1 4 +oo 1 9 ooo 1 6 ooo 1 6 +oo 1 5 o-o 2 6 ooo 2 9 -oo 2 9 ooo 2 5 -oo 2 5 ooo 2 7 -oo 2 7 ooo 2 8 o+o 3 7 --o 3 7 o-o 3 8 oo+ 3 8 +o+ 3 6 ooo 3 9 -oo 3 9 ooo 3 4 oo+ 3 4 +o+ 4 9 -o- 4 8 ooo 5 ...
10
0
0.1103
0.1103
-0.887834
orthorhombic
Cmc2_1
agm004640752
Rb Rb Rb Ce Ce Hg S S S S S S 0 6 -oo 0 7 -oo 0 10 o+o 0 8 ooo 0 9 ooo 0 11 o+o 0 2 o+o 0 2 -oo 1 9 o-o 1 11 ooo 1 6 ooo 1 7 o-o 1 10 +oo 1 8 +oo 1 2 +oo 1 2 o-o 2 10 ooo 2 8 ooo 2 9 ooo 2 11 ooo 2 6 ooo 2 7 ooo 3 6 -o- 3 8 ooo 3 11 o+o 3 10 oo- 3 9 oo- 3 7 ooo 4 10 oo- 4 11 ooo 4 7 ooo 4 9 o-- 4 6 oo- 4 8 +oo 5 7 --o ...
12
0.039167
0.0129
0.0137
-1.706277
monoclinic
C2/m
agm005879176
Ag Hg Hg I I I I I 0 3 ooo 0 6 ooo 0 4 o+o 0 5 +oo 1 5 o-+ 1 6 ooo 1 4 oo+ 1 7 ooo 2 4 ooo 2 3 ooo 2 7 ooo 2 6 +o-
8
0.024406
1.3189
1.3189
-0.263059
triclinic
P1
agm005070435
Cs Pm Hg Br Br Br Br Br Br 0 6 +-o 0 5 ooo 0 8 oo+ 0 7 +-+ 0 4 +oo 0 3 +o+ 1 7 ooo 1 5 ooo 1 4 o+o 1 3 +oo 1 6 +oo 1 8 o+o 2 4 ooo 2 3 ooo 2 6 ooo 2 8 ooo 2 7 ooo 2 5 ooo
9
0.020356
2.1219
2.1277
-1.385359
trigonal
P312
agm003194196
Na Na Hg O O 0 4 oo- 0 4 +++ 0 4 o+o 0 4 +oo 0 3 ooo 1 4 ooo 1 3 -oo 1 3 o-o 1 3 --- 1 3 oo+ 2 3 --o 2 4 ooo
5
0
1.6527
1.7893
-1.345596
tetragonal
I4/mmm
agm003144648
Se Se Se Se Hg Hg Zr Zr 0 7 +o- 0 6 ooo 0 4 o-o 0 4 oo- 0 5 +o- 0 5 ooo 1 7 oo- 1 6 -oo 1 4 oo- 1 4 -oo 1 5 ooo 1 5 o+- 2 6 oo- 2 7 o-o 2 4 oo- 2 4 --o 2 5 ooo 2 5 oo- 3 6 o+- 3 7 ooo 3 4 ooo 3 4 oo- 3 5 ++- 3 5 ooo 4 5 ++- 4 5 oo+
8
0.273079
0.463
0.463
-0.725723
tetragonal
I4/mcm
agm005050138
Rb Rb Hg Hg As As O O O O O O O O 0 11 ooo 0 11 o+o 0 12 ooo 0 10 oo+ 0 6 ooo 0 8 +o+ 0 9 o+o 0 7 +o+ 1 9 -o- 1 7 o-o 1 6 -o- 1 8 ooo 1 10 o-o 1 10 ooo 1 11 oo- 1 13 ooo 2 12 ooo 2 8 +oo 2 6 ooo 2 7 +oo 2 9 o+o 3 7 o-o 3 9 -oo 3 8 ooo 3 6 -oo 3 13 ooo 4 8 ooo 4 7 ooo 4 10 ooo 4 12 ooo 5 13 ooo 5 11 ooo 5 9 ooo 5 6 ooo
14
0.00291
1.5933
1.6408
-1.566042
monoclinic
P2_1/m
agm005865742
Li Li Hg Hg Hg Hg F F F F F F F F F F 0 9 o-o 0 15 ooo 0 10 ooo 0 11 +oo 1 12 -oo 1 14 ooo 1 8 ooo 1 13 o+o 2 8 o-- 2 7 o-o 2 11 ooo 2 12 o-- 2 6 oo- 2 15 ooo 3 11 ooo 3 8 oo- 3 7 ooo 3 6 oo- 3 15 ooo 3 12 oo- 4 13 ooo 4 7 ooo 4 14 ooo 4 10 ooo 4 6 ooo 4 9 ooo 5 10 -oo 5 6 -oo 5 9 -oo 5 13 ooo 5 7 ooo 5 14 ooo
16
0.050276
1.8767
1.8767
-2.036011
monoclinic
C2/c
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