LMucko/crystallography-open-database huggingface dataset:
Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the nature of poitevinite, (Cu,Fe)SO4.H2O Sample: Cu-100
Giester, G.; Lengauer, C. L.; Redhammer, G. J.; The Canadian Mineralogist 32 (1994) 873–884; doi:

data_9004341
_publ_section_title
;
 Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the
 nature of poitevinite, (Cu,Fe)SO4.H2O
 Sample: Cu-100
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              873
_journal_page_last               884
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Cu H2 O5 S'
_chemical_name_mineral           Poitevinite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.64
_cell_angle_beta                 108.41
_cell_angle_gamma                90.88
_cell_formula_units_Z            2
_cell_length_a                   5.034
_cell_length_b                   5.167
_cell_length_c                   7.573
_cell_volume                     175.606
_exptl_crystal_density_diffrn    3.359
_cod_depositor_comments
;

2017-09-06
Z value inserted to be consistent with given formula
Water oxygens renamed so they are recognized as oxygens
                 miguel
;
_cod_original_formula_sum        'Cu S O5 H2'
_cod_database_code               9004341
_database_code_amcsd 0005414
Kaliborite: An example of a crystallographically symmetrical hydrogen bond
Burns, P. C.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 885–894; doi:

data_9004342
_publ_section_title
;
 Kaliborite: An example of a crystallographically symmetrical
 hydrogen bond
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              885
_journal_page_last               894
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'B12 H19 K Mg2 O30'
_chemical_name_mineral           Kaliborite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.02
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.572
_cell_length_b                   8.466
_cell_length_c                   14.689
_cell_volume                     2274.332
_database_code_amcsd             0005415
_exptl_crystal_density_diffrn    2.093
_cod_original_formula_sum        'K Mg2 B12 H19 O30'
_cod_database_code               9004342
Hydrogen bonding in tunellite
Burns, P. C.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 895–902; doi:

data_9004343
_publ_section_title
;
 Hydrogen bonding in tunellite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              895
_journal_page_last               902
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'B6 H8 O14 Sr'
_chemical_name_mineral           Tunellite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.05
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.415
_cell_length_b                   8.213
_cell_length_c                   9.951
_cell_volume                     1075.832
_database_code_amcsd             0005416
_exptl_crystal_density_diffrn    2.374
_cod_original_formula_sum        'Sr B6 H8 O14'
_cod_database_code               9004343
The crystal structure of tusionite, MnSn(BO3)2, a dolomite-structure borate
Cooper, M. A.; Hawthorne, F. C.; Novak, M.; The Canadian Mineralogist 32 (1994) 903–907; doi:

data_9004344
_publ_section_title
;
 The crystal structure of tusionite, MnSn(BO3)2,
 a dolomite-structure borate
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              903
_journal_page_last               907
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'B2 Mn O6 Sn'
_chemical_name_mineral           Tusionite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.781
_cell_length_b                   4.781
_cell_length_c                   15.381
_cell_formula_units_Z            3
_cell_volume                     304.476
_database_code_amcsd             0005417
_exptl_crystal_density_diffrn    4.765
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Mn Sn B2 O6'
_cod_database_code               9004344
The crystal structure of fichtelite, a naturally occuring hydrocarbon
Mace, H. A.; Peterson, R. C.; The Canadian Mineralogist 33 (1995) 7–11; doi:

data_9004345
_publ_section_title
;
 The crystal structure of fichtelite, a naturally occuring hydrocarbon
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              7
_journal_page_last               11
_journal_volume                  33
_journal_year                    1995
_chemical_formula_sum            'C19 H33'
_chemical_name_mineral           Fichtelite
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.85
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.706
_cell_length_b                   7.458
_cell_length_c                   10.824
_cell_volume                     831.387
_database_code_amcsd             0005418
_exptl_crystal_density_diffrn    1.044
_cod_depositor_comments
;
 Marking atom 'C16' as having one attached hydrogen since
 the original publication states that the exact location
 of this hydrogen atom could not be determined.

 Antanas Vaitkus,
 2016-11-08
;
_cod_original_cell_volume        831.388
_cod_database_code               9004345
Synthesis and rietveld refinement of amphibole along the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2 Sample: TREM 19-3
Jenkins, D. M.; Hawthorne, F. C.; The Canadian Mineralogist 33 (1995) 13–24; doi:

data_9004346
_publ_section_title
;
 Synthesis and rietveld refinement of amphibole along
 the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2
 Sample: TREM 19-3
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              13
_journal_page_last               24
_journal_volume                  33
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca1.92 F2 Mg5.08 O22 Si8'
_chemical_name_mineral           Tremolite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.680
_cell_angle_gamma                90
_cell_length_a                   9.8182
_cell_length_b                   18.032
_cell_length_c                   5.2699
_cell_formula_units_Z            2
_cell_volume                     902.536
_database_code_amcsd             0005419
_exptl_crystal_density_diffrn    2.999
_cod_original_formula_sum        'Si8 Mg5.08 Ca1.92 O22 F2'
_cod_database_code               9004346
Synthesis and rietveld refinement of amphibole along the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2 Sample: PARG 10-1
Jenkins, D. M.; Hawthorne, F. C.; The Canadian Mineralogist 33 (1995) 13–24; doi:

data_9004347
_publ_section_title
;
 Synthesis and rietveld refinement of amphibole along
 the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2
 Sample: PARG 10-1
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              13
_journal_page_last               24
_journal_volume                  33
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca1.92 F2 Ga0.68 Mg4.92 Na0.27 O22 Si7.48'
_chemical_name_mineral           Pargasite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.793
_cell_angle_gamma                90
_cell_length_a                   9.8356
_cell_length_b                   18.025
_cell_length_c                   5.2801
_cell_formula_units_Z            2
_cell_volume                     905.064
_database_code_amcsd             0005420
_exptl_crystal_density_diffrn    3.120
_cod_original_formula_sum        'Si7.48 Ga.68 Mg4.92 Ca1.92 Na.27 O22 F2'
_cod_database_code               9004347
Synthesis and rietveld refinement of amphibole along the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2 Sample: PARG 9-1
Jenkins, D. M.; Hawthorne, F. C.; The Canadian Mineralogist 33 (1995) 13–24; doi:

data_9004348
_publ_section_title
;
 Synthesis and rietveld refinement of amphibole along
 the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2
 Sample: PARG 9-1
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              13
_journal_page_last               24
_journal_volume                  33
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca1.8 F2 Ga1.28 Mg4.82 Na0.46 O22 Si7.04'
_chemical_name_mineral           Pargasite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.924
_cell_angle_gamma                90
_cell_length_a                   9.8620
_cell_length_b                   18.025
_cell_length_c                   5.2930
_cell_formula_units_Z            2
_cell_volume                     909.159
_database_code_amcsd             0005421
_exptl_crystal_density_diffrn    3.203
_cod_original_formula_sum        'Si7.04 Ga1.28 Mg4.82 Ca1.8 Na.46 O22 F2'
_cod_database_code               9004348
Synthesis and rietveld refinement of amphibole along the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2 Sample: PARG 8-2
Jenkins, D. M.; Hawthorne, F. C.; The Canadian Mineralogist 33 (1995) 13–24; doi:

data_9004349
_publ_section_title
;
 Synthesis and rietveld refinement of amphibole along
 the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2
 Sample: PARG 8-2
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              13
_journal_page_last               24
_journal_volume                  33
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca1.96 F2 Ga1.62 Mg4.6 Na0.71 O22 Si6.8'
_chemical_name_mineral           Pargasite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.068
_cell_angle_gamma                90
_cell_length_a                   9.8820
_cell_length_b                   18.017
_cell_length_c                   5.2990
_cell_formula_units_Z            2
_cell_volume                     911.017
_database_code_amcsd             0005422
_exptl_crystal_density_diffrn    3.283
_cod_original_formula_sum        'Si6.8 Ga1.62 Mg4.6 Ca1.96 Na.71 O22 F2'
_cod_database_code               9004349
Synthesis and rietveld refinement of amphibole along the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2 Sample: PARG 7-1
Jenkins, D. M.; Hawthorne, F. C.; The Canadian Mineralogist 33 (1995) 13–24; doi:

data_9004350
_publ_section_title
;
 Synthesis and rietveld refinement of amphibole along
 the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2
 Sample: PARG 7-1
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              13
_journal_page_last               24
_journal_volume                  33
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca1.78 F2 Ga2.36 Mg4.57 Na0.8 O22 Si6.28'
_chemical_name_mineral           Pargasite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.165
_cell_angle_gamma                90
_cell_length_a                   9.897
_cell_length_b                   18.010
_cell_length_c                   5.3059
_cell_formula_units_Z            2
_cell_volume                     912.816
_database_code_amcsd             0005423
_exptl_crystal_density_diffrn    3.390
_cod_original_formula_sum        'Si6.28 Ga2.36 Mg4.57 Ca1.78 Na.8 O22 F2'
_cod_database_code               9004350
Synthesis and rietveld refinement of amphibole along the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2 Sample: PARG 6-4
Jenkins, D. M.; Hawthorne, F. C.; The Canadian Mineralogist 33 (1995) 13–24; doi:

data_9004351
_publ_section_title
;
 Synthesis and rietveld refinement of amphibole along
 the join Ca2Mg5Si8O22F2 - NaCa2Mg4Ga3Si6O22F2
 Sample: PARG 6-4
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              13
_journal_page_last               24
_journal_volume                  33
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca1.72 F2 Ga2.42 Mg4.48 Na0.86 O22 Si6.32'
_chemical_name_mineral           Pargasite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.190
_cell_angle_gamma                90
_cell_length_a                   9.8992
_cell_length_b                   17.992
_cell_length_c                   5.3081
_cell_formula_units_Z            2
_cell_volume                     912.376
_database_code_amcsd             0005424
_exptl_crystal_density_diffrn    3.399
_cod_original_formula_sum        'Si6.32 Ga2.42 Mg4.48 Ca1.72 Na.86 O22 F2'
_cod_database_code               9004351
Synthesis and crystal-structure refinement of synthetic fluor-pargasite Sample: FP1 [note: ideal = NaCa2(Mg4Al)(Si6Al2)O22(OH)2]
Oberti, R.; Sardone, N.; Hawthorne, F. C.; Raudsepp, M.; Turnock, A. C.; The Canadian Mineralogist 33 (1995) 25–31; doi:

data_9004352
_publ_section_title
;
 Synthesis and crystal-structure refinement of synthetic fluor-pargasite
 Sample: FP1  [note: ideal = NaCa2(Mg4Al)(Si6Al2)O22(OH)2]
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              25
_journal_page_last               31
_journal_volume                  33
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_sum
'Al2.762 Ca2.12 F2 Mg4.306 Na0.85 O22 Si6.012'
_chemical_name_mineral           Fluoropargasite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.30
_cell_angle_gamma                90
_cell_length_a                   9.820
_cell_length_b                   17.896
_cell_length_c                   5.294
_cell_formula_units_Z            2
_cell_volume                     897.386
_database_code_amcsd             0005425
_exptl_crystal_density_diffrn    3.118
_cod_original_formula_sum        'Si6.012 Al2.762 Mg4.306 Ca2.12 Na.85 O22 F2'
_cod_database_code               9004352
Synthesis and crystal-structure refinement of synthetic fluor-pargasite Sample FP2 [note: ideal = NaCa2(Mg4Al)(Si6Al2)O22(OH)2]
Oberti, R.; Sardone, N.; Hawthorne, F. C.; Raudsepp, M.; Turnock, A. C.; The Canadian Mineralogist 33 (1995) 25–31; doi:

data_9004353
_publ_section_title
;
 Synthesis and crystal-structure refinement of synthetic fluor-pargasite
 Sample FP2  [note: ideal = NaCa2(Mg4Al)(Si6Al2)O22(OH)2]
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              25
_journal_page_last               31
_journal_volume                  33
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_sum
'Al3.058 Ca2.2 F2 Fe2 Mg8.062 Na0.8 O22 Si5.88'
_chemical_name_mineral           Fluoropargasite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.30
_cell_angle_gamma                90
_cell_length_a                   9.808
_cell_length_b                   17.868
_cell_length_c                   5.297
_cell_formula_units_Z            2
_cell_volume                     895.395
_database_code_amcsd             0005426
_exptl_crystal_density_diffrn    3.901
_cod_original_formula_sum
'Si5.88 Al3.058 Mg8.062 Fe2 Ca2.2 Na.8 O22 F2'
_cod_database_code               9004353
Parakhinite, Cu3PbTeO6(OH)2: Crystal structure and revision of chemical formula
Burns, P. C.; Cooper, M. A.; Hawthorne, F. C.; The Canadian Mineralogist 33 (1995) 33–40; doi:

data_9004354
_publ_section_title
;Parakhinite, Cu3PbTeO6(OH)2: Crystal structure and revision of chemical
 formula
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              33
_journal_page_last               40
_journal_volume                  33
_journal_year                    1995
_chemical_formula_sum            'Cu3 H2 O8 Pb Te'
_chemical_name_mineral           Parakhinite
_space_group_IT_number           145
_symmetry_space_group_name_Hall  'P 32'
_symmetry_space_group_name_H-M   'P 32'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.765
_cell_length_b                   5.765
_cell_length_c                   18.001
_cell_volume                     518.115
_exptl_crystal_density_diffrn    6.302
_cod_data_source_file            cifdata.txt
_cod_data_source_block           'global_5102'
_cod_original_formula_sum        'Pb Te Cu3 O8 H2'
_cod_database_code               9004354
_database_code_amcsd 0005427
The crystal structure of wattersite, Hg4HgCrO6
Groat, L. A.; Roberts, A. C.; Le Page, Y.; The Canadian Mineralogist 33 (1995) 41–46; doi:

data_9004355
_publ_section_title
;
 The crystal structure of wattersite, Hg4HgCrO6
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              41
_journal_page_last               46
_journal_volume                  33
_journal_year                    1995
_chemical_compound_source
'type sample from Clear Creek mercury mine, San Benito County, California, USA'
_chemical_formula_sum            'Cr Hg5 O6'
_chemical_name_mineral           Wattersite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.19
_cell_angle_gamma                90
_cell_length_a                   11.274
_cell_length_b                   11.669
_cell_length_c                   6.603
_cell_formula_units_Z            4
_cell_volume                     859.807
_database_code_amcsd             0005429
_exptl_crystal_density_diffrn    8.891
_cod_original_formula_sum        'Hg5 Cr O6'
_cod_database_code               9004355
Positional disorder of oxygen in garnet: the crystal-structure refinement of schorlomite Sample: model 1
Peterson, R. C.; Locock, A. J.; Luth, R. W.; The Canadian Mineralogist 33 (1995) 627–631; doi:

data_9004356
_publ_section_title
;
 Positional disorder of oxygen in garnet: the crystal-structure
 refinement of schorlomite
 Sample: model 1
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              627
_journal_page_last               631
_journal_volume                  33
_journal_year                    1995
_chemical_formula_sum
'Al0.14 Ca2.88 Fe1.36 Mg0.13 Mn0.02 Na0.03 O12 Si2.34 Ti1.06 Zr0.04'
_chemical_name_mineral           Schorlomite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.157
_cell_length_b                   12.157
_cell_length_c                   12.157
_cell_formula_units_Z            8
_cell_volume                     1796.715
_database_code_amcsd             0005430
_exptl_crystal_density_diffrn    3.787
_cod_original_formula_sum
'Si2.34 Fe1.36 Ti1.06 Al.14 Zr.04 Mg.13 Mn.02 Ca2.88 Na.03 O12'
_cod_database_code               9004356
Positional disorder of oxygen in garnet: the crystal-structure refinement of schorlomite Sample: model 2, split oxygen
Peterson, R. C.; Locock, A. J.; Luth, R. W.; The Canadian Mineralogist 33 (1995) 627–631; doi:

data_9004357
_publ_section_title
;
 Positional disorder of oxygen in garnet: the crystal-structure
 refinement of schorlomite
 Sample: model 2, split oxygen
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              627
_journal_page_last               631
_journal_volume                  33
_journal_year                    1995
_chemical_formula_sum
'Al0.14 Ca2.88 Fe1.36 Mg0.13 Mn0.02 Na0.03 O12 Si2.34 Ti1.06 Zr0.04'
_chemical_name_mineral           Schorlomite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.157
_cell_length_b                   12.157
_cell_length_c                   12.157
_cell_formula_units_Z            8
_cell_volume                     1796.715
_database_code_amcsd             0005431
_exptl_crystal_density_diffrn    3.787
_cod_original_formula_sum
'Si2.34 Fe1.36 Ti1.06 Al.14 Zr.04 Mg.13 Mn.02 Ca2.88 Na.03 O12'
_cod_database_code               9004357
Claringbullite: A Cu oxysalt with Cu in trigonal-prismatic coordination
Burns, P. C.; Cooper, M. A.; Hawthorne, F. C.; The Canadian Mineralogist 33 (1995) 633–639; doi:

data_9004358
_publ_section_title
;
 Claringbullite: A Cu oxysalt with Cu in trigonal-prismatic coordination
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              633
_journal_page_last               639
_journal_volume                  33
_journal_year                    1995
_chemical_formula_sum            'Cl Cu1.995 H3 O3'
_chemical_name_mineral           Claringbullite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.6733
_cell_length_b                   6.6733
_cell_length_c                   9.185
_cell_formula_units_Z            4
_cell_volume                     354.235
_exptl_crystal_density_diffrn    3.999
_cod_original_formula_sum        'Cu1.995 H3 Cl O3'
_cod_database_code               9004358