LMucko/crystallography-open-database huggingface dataset:
The structure of KAlSiO4 with P6_3mc symmetry Note: natural sample of kalsilite was mixed with powdered KCl and heated, it tranformed to this phase
Dollase, W. A.; Freeborn, W. P.; American Mineralogist 62 (1977) 336–340; doi:

data_9000563
_publ_section_title
;
 The structure of KAlSiO4 with P6_3mc symmetry
 Note: natural sample of kalsilite was mixed with powdered KCl and heated,
 it tranformed to this phase
;
_journal_name_full               'American Mineralogist'
_journal_page_first              336
_journal_page_last               340
_journal_volume                  62
_journal_year                    1977
_chemical_compound_source        'Larvik, Norway'
_chemical_formula_structural     'K Al (Si O4)'
_chemical_formula_sum            'Al K O3.996 Si'
_chemical_name_mineral           Kalsilite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.153
_cell_length_b                   5.153
_cell_length_c                   8.682
_cell_formula_units_Z            2
_cell_volume                     199.651
_database_code_amcsd             0000574
_exptl_crystal_density_diffrn    2.630
_cod_original_formula_sum        'K Si Al O3.996'
_cod_database_code               9000563
_amcsd_formula_title             KAlSiO4
The crystal structure of heazlewoodite, and metallic bonds in sulfide minerals
Fleet, M. E.; American Mineralogist 62 (1977) 341–345; doi:

data_9000564
_publ_section_title
;The crystal structure of heazlewoodite, and metallic bonds in sulfide
 minerals
;
_journal_name_full               'American Mineralogist'
_journal_page_first              341
_journal_page_last               345
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Ni3 S2'
_chemical_name_mineral           Heazlewoodite
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'P 3* 2'
_symmetry_space_group_name_H-M   'R 3 2 :R'
_cell_angle_alpha                89.475
_cell_angle_beta                 89.475
_cell_angle_gamma                89.475
_cell_length_a                   4.0821
_cell_length_b                   4.0821
_cell_length_c                   4.0821
_cell_formula_units_Z            1
_cell_volume                     68.014
_database_code_amcsd             0000575
_exptl_crystal_density_diffrn    5.864
_cod_original_sg_symbol_H-M      'R 3 2'
_cod_database_code               9000564
Crystal structure refinement of arsenian ullmannite approximate cubic structure
Bayliss, P.; American Mineralogist 62 (1977) 369–373; doi:

data_9000565
_publ_section_title
;
 Crystal structure refinement of arsenian ullmannite
 approximate cubic structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              369
_journal_page_last               373
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'As0.1 Bi0.01 Co0.03 Ni0.97 S0.98 Sb0.91'
_chemical_name_mineral           Ullmannite
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.886
_cell_length_b                   5.886
_cell_length_c                   5.886
_cell_volume                     203.920
_database_code_amcsd             0000576
_exptl_crystal_density_diffrn    6.856
_cod_original_formula_sum        '(Ni.97 Co.03) S.98 As.1 Sb.91 Bi.01'
_cod_database_code               9000565
Crystal structure refinement of arsenian ullmannite
Bayliss, P.; American Mineralogist 62 (1977) 369–373; doi:

data_9000566
_publ_section_title
;
 Crystal structure refinement of arsenian ullmannite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              369
_journal_page_last               373
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'As0.195 Bi0.02 Co0.06 Ni1.94 S1.97 Sb1.815'
_chemical_name_mineral           Ullmannite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.886
_cell_length_b                   5.886
_cell_length_c                   5.886
_cell_volume                     203.920
_database_code_amcsd             0000577
_exptl_crystal_density_diffrn    6.846
_cod_original_formula_sum        '(Ni1.94 Co.06) S1.97 As.195 Sb1.815 Bi.02'
_cod_database_code               9000566
The crystal chemistry of the hydrous copper silicates, shattuckite and plancheite Note: sample is from Ajo, Arizona
Evans, H. T.; Mrose, M. E.; American Mineralogist 62 (1977) 491–502; doi:

data_9000567
_publ_section_title
;
 The crystal chemistry of the hydrous copper silicates, shattuckite and
 plancheite
 Note: sample is from Ajo, Arizona
;
_journal_name_full               'American Mineralogist'
_journal_page_first              491
_journal_page_last               502
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Cu5 H2 O14 Si4'
_chemical_name_mineral           Shattuckite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2bc 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.885
_cell_length_b                   19.832
_cell_length_c                   5.3825
_cell_volume                     1055.182
_database_code_amcsd             0000578
_exptl_crystal_density_diffrn    4.130
_cod_original_formula_sum        'Cu5 Si4 O14 H2'
_cod_database_code               9000567
The crystal chemistry of the hydrous copper silicates, shattuckite and plancheite Note: sample is from Rioja, Argentina
Evans, H. T.; Mrose, M. E.; American Mineralogist 62 (1977) 491–502; doi:

data_9000568
_publ_section_title
;
 The crystal chemistry of the hydrous copper silicates, shattuckite and
 plancheite
 Note: sample is from Rioja, Argentina
;
_journal_name_full               'American Mineralogist'
_journal_page_first              491
_journal_page_last               502
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Cu8 H6 O27 Si8'
_chemical_name_mineral           Plancheite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2b 2ac'
_symmetry_space_group_name_H-M   'P c n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.043
_cell_length_b                   20.129
_cell_length_c                   5.269
_cell_volume                     2019.695
_database_code_amcsd             0000579
_exptl_crystal_density_diffrn    3.851
_cod_original_formula_sum        'Cu8 Si8 O27 H6'
_cod_database_code               9000568
Rosenhahnite, Ca3Si3O8(OH)2: crystal structure and the stereochemical configuration of the hydroxylated trisilicate group, [Si3O8(OH)2] Note: sample is from Mendocino County, California
Wan, C.; Ghose, S.; Gibbs, G. V.; American Mineralogist 62 (1977) 503–512; doi:

data_9000569
_publ_section_title
;
 Rosenhahnite, Ca3Si3O8(OH)2: crystal structure and the stereochemical
 configuration of the hydroxylated trisilicate group, [Si3O8(OH)2]
 Note: sample is from Mendocino County, California
;
_journal_name_full               'American Mineralogist'
_journal_page_first              503
_journal_page_last               512
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Ca3 H2 O10 Si3'
_chemical_name_mineral           Rosenhahnite
_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                 94.84
_cell_angle_gamma                95.89
_cell_length_a                   6.955
_cell_length_b                   9.484
_cell_length_c                   6.812
_cell_formula_units_Z            2
_cell_volume                     420.226
_database_code_amcsd             0000580
_exptl_crystal_density_diffrn    2.896
_cod_original_formula_sum        'Ca3 Si3 O10 H2'
_cod_database_code               9000569
Holdenite, a novel cubic close-packed structure Note: sample is from the zinc mines at Franklin, Sussex County, New Jersey, USA
Moore, P. B.; Araki, T.; American Mineralogist 62 (1977) 513–521; doi:

data_9000570
_publ_section_title
;Holdenite, a novel cubic close-packed structure Note: sample is from the zinc
 mines at Franklin, Sussex County, New Jersey, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              513
_journal_page_last               521
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'As2 H8 Mg0.55 Mn5.45 O20 Si Zn3'
_chemical_name_mineral           Holdenite
_space_group_IT_number           64
_space_group_name_Hall           '-A 2ab 2ab'
_space_group_name_H-M_alt        'A e m a'
_symmetry_space_group_name_Hall  '-A 2ab 2ab'
_symmetry_space_group_name_H-M   'A e m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.99
_cell_length_b                   31.46
_cell_length_c                   8.697
_cell_volume                     3280.555
_exptl_crystal_density_diffrn    4.110
_cod_original_sg_symbol_H-M      'A b m a'
_cod_original_formula_sum        'Mn5.45 Mg.55 Si As2 Zn3 O20 H8'
_cod_database_code               9000570
_database_code_amcsd 0000581
Overite, segelerite, and jahnsite: a study in combinatorial polymorphism
Moore, P. B.; Araki, T.; American Mineralogist 62 (1977) 692–702; doi:

data_9000571
_publ_section_title
;
 Overite, segelerite, and jahnsite: a study in combinatorial polymorphism
;
_journal_name_full               'American Mineralogist'
_journal_page_first              692
_journal_page_last               702
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Al Ca H9 Mg O13 P2'
_chemical_name_mineral           Overite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.723
_cell_length_b                   18.746
_cell_length_c                   7.107
_cell_volume                     1961.513
_database_code_amcsd             0000582
_exptl_crystal_density_diffrn    2.506
_cod_original_formula_sum        'Ca Mg Al P2 O13 H9'
_cod_database_code               9000571
Overite, segelerite, and jahnsite: a study in combinatorial polymorphism
Moore, P. B.; Araki, T.; American Mineralogist 62 (1977) 692–702; doi:

data_9000572
_publ_section_title
;
 Overite, segelerite, and jahnsite: a study in combinatorial polymorphism
;
_journal_name_full               'American Mineralogist'
_journal_page_first              692
_journal_page_last               702
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Ca Fe H9 Mg O13 P2'
_chemical_name_mineral           Segelerite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.826
_cell_length_b                   18.751
_cell_length_c                   7.307
_cell_volume                     2031.363
_database_code_amcsd             0000583
_exptl_crystal_density_diffrn    2.608
_cod_original_formula_sum        'Ca Mg Fe P2 O13 H9'
_cod_database_code               9000572
Structural refinements of dolomite and a magnesian calcite and implications for dolomite formation in the marine environment
Althoff, P. L.; American Mineralogist 62 (1977) 772–783; doi:

data_9000573
_publ_section_title
;Structural refinements of dolomite and a magnesian calcite and implications
 for dolomite formation in the marine environment
;
_journal_name_full               'American Mineralogist'
_journal_page_first              772
_journal_page_last               783
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'C2 Ca Mg O6'
_chemical_name_mineral           Dolomite
_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                   4.8033
_cell_length_b                   4.8033
_cell_length_c                   15.984
_cell_formula_units_Z            3
_cell_volume                     319.371
_database_code_amcsd             0000584
_exptl_crystal_density_diffrn    2.876
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Ca Mg C2 O6'
_cod_database_code               9000573
Structural refinements of dolomite and a magnesian calcite and implications for dolomite formation in the marine environment Mg-calcite
Althoff, P. L.; American Mineralogist 62 (1977) 772–783; doi:

data_9000574
_publ_section_title
;Structural refinements of dolomite and a magnesian calcite and implications
 for dolomite formation in the marine environment Mg-calcite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              772
_journal_page_last               783
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'C Ca0.9 Mg0.1 O3'
_chemical_name_mineral           Calcite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.941
_cell_length_b                   4.941
_cell_length_c                   16.864
_cell_formula_units_Z            6
_cell_volume                     356.550
_database_code_amcsd             0000585
_exptl_crystal_density_diffrn    2.753
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Ca.9 Mg.1) C O3'
_cod_database_code               9000574
The structure of malayaite, CaSnOSiO4, a tin analog of titanite Note: sample is from Red-a-Ven mine, Meldon, Devonshire, England
Higgins, J. B.; Ribbe, P. H.; American Mineralogist 62 (1977) 801–806; doi:

data_9000575
_publ_section_title
;
 The structure of malayaite, CaSnOSiO4, a tin analog of titanite
 Note: sample is from Red-a-Ven mine, Meldon, Devonshire, England
;
_journal_name_full               'American Mineralogist'
_journal_page_first              801
_journal_page_last               806
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Ca O5 Si Sn0.95 Ti0.05'
_chemical_name_mineral           Malayaite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2yab'
_symmetry_space_group_name_H-M   'A 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.3
_cell_angle_gamma                90
_cell_length_a                   7.149
_cell_length_b                   8.906
_cell_length_c                   6.667
_cell_formula_units_Z            4
_cell_volume                     389.863
_database_code_amcsd             0000586
_exptl_crystal_density_diffrn    4.486
_cod_original_sg_symbol_H-M      'A 1 2/a 1'
_cod_original_formula_sum        'Ca (Sn.95 Ti.05) Si O5'
_cod_database_code               9000575
A refinement of the structure of dioptase, Cu6[Si6O18]*6H2O Note: sample is from Reneville, Congo
Ribbe, P. H.; Gibbs, G. V.; Hamil, M.; American Mineralogist 62 (1977) 807–811; doi:

data_9000576
_publ_section_title
;
 A refinement of the structure of dioptase, Cu6[Si6O18]*6H2O
 Note: sample is from Reneville, Congo
;
_journal_name_full               'American Mineralogist'
_journal_page_first              807
_journal_page_last               811
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Cu H2 O4 Si'
_chemical_name_mineral           Dioptase
_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_formula_units_Z            18
_cell_length_a                   14.566
_cell_length_b                   14.566
_cell_length_c                   7.778
_cell_volume                     1429.155
_database_code_amcsd             0000587
_exptl_crystal_density_diffrn    3.297
_cod_original_cell_volume        1429.154
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Cu Si O4 H2'
_cod_database_code               9000576
The crystal structure of phosphophyllite
Hill, R. J.; American Mineralogist 62 (1977) 812–817; doi:

data_9000577
_publ_section_title
;
 The crystal structure of phosphophyllite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              812
_journal_page_last               817
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Fe H8 O12 P2 Zn2'
_chemical_name_mineral           Phosphophyllite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 121.14
_cell_angle_gamma                90
_cell_length_a                   10.378
_cell_length_b                   5.084
_cell_length_c                   10.553
_cell_formula_units_Z            2
_cell_volume                     476.564
_database_code_amcsd             0000588
_exptl_crystal_density_diffrn    3.126
_cod_original_formula_sum        'Fe Zn2 P2 O12 H8'
_cod_database_code               9000577
X-ray study of K6LiFe24S26Cl, a djerfisherite-like compound
Tani, B. S.; American Mineralogist 62 (1977) 819–823; doi:

data_9000578
_publ_section_title
;
 X-ray study of K6LiFe24S26Cl, a djerfisherite-like compound
;
_journal_name_full               'American Mineralogist'
_journal_page_first              819
_journal_page_last               823
_journal_volume                  62
_journal_year                    1977
_chemical_formula_structural     'K6 Li Fe24 S26 Cl'
_chemical_formula_sum            'Cl Fe24 K6 Li S26'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.358
_cell_length_b                   10.358
_cell_length_c                   10.358
_cell_formula_units_Z            1
_cell_volume                     1111.291
_database_code_amcsd             0000589
_exptl_crystal_density_diffrn    3.662
_cod_original_sg_symbol_H-M      'P m 3 m'
_cod_original_formula_sum        'Fe24 K6 Li S26 Cl'
_cod_database_code               9000578
_amcsd_formula_title             K6LiFe24S26Cl
Cation distribution and high-temperature crystal chemistry of armalcolite sample Arm-E, T = 24 deg C, before annealing
Wechsler, B. A.; American Mineralogist 62 (1977) 913–920; doi:

data_9000579
_publ_section_title
;
 Cation distribution and high-temperature crystal chemistry of armalcolite
 sample Arm-E, T = 24 deg C, before annealing
;
_journal_name_full               'American Mineralogist'
_journal_page_first              913
_journal_page_last               920
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Fe0.5 Mg0.5 O5 Ti1.999'
_chemical_name_mineral           Armalcolite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.7762
_cell_length_b                   10.0341
_cell_length_c                   3.7504
_cell_formula_units_Z            4
_cell_volume                     367.897
_database_code_amcsd             0000590
_diffrn_ambient_temperature      297.15
_exptl_crystal_density_diffrn    3.896
_exptl_crystal_thermal_history   '24 deg C, before annealing'
_cod_original_formula_sum        'Fe.5 Mg.5 Ti1.999 O5'
_cod_database_code               9000579
Cation distribution and high-temperature crystal chemistry of armalcolite sample Arm-E, T = 24 deg C, after annealing
Wechsler, B. A.; American Mineralogist 62 (1977) 913–920; doi:

data_9000580
_publ_section_title
;
 Cation distribution and high-temperature crystal chemistry of armalcolite
 sample Arm-E, T = 24 deg C, after annealing
;
_journal_name_full               'American Mineralogist'
_journal_page_first              913
_journal_page_last               920
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Fe0.044 Mg0.5 O5 Ti2'
_chemical_name_mineral           Armalcolite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.745
_cell_length_b                   10.0625
_cell_length_c                   3.7422
_cell_formula_units_Z            4
_cell_volume                     366.957
_database_code_amcsd             0000591
_diffrn_ambient_temperature      297.15
_exptl_crystal_density_diffrn    3.446
_exptl_crystal_thermal_history   '24 deg C, after annealing'
_cod_original_formula_sum        'Mg.5 Ti2 Fe.044 O5'
_cod_database_code               9000580
Cation distribution and high-temperature crystal chemistry of armalcolite sample Arm-E, T = 1100 deg C
Wechsler, B. A.; American Mineralogist 62 (1977) 913–920; doi:

data_9000581
_publ_section_title
;
 Cation distribution and high-temperature crystal chemistry of armalcolite
 sample Arm-E, T = 1100 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              913
_journal_page_last               920
_journal_volume                  62
_journal_year                    1977
_chemical_formula_sum            'Fe0.5 Mg0.5 O5 Ti2'
_chemical_name_mineral           Armalcolite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.899
_cell_length_b                   10.1835
_cell_length_c                   3.76422
_cell_formula_units_Z            4
_cell_volume                     379.458
_database_code_amcsd             0000592
_diffrn_ambient_temperature      1373.15
_exptl_crystal_density_diffrn    3.778
_cod_original_formula_sum        '(Fe.5 Mg.5 Ti2) O5'
_cod_database_code               9000581