LMucko/crystallography-open-database huggingface dataset:
Salesite, CuIO3(OH), and Cu(IO3)2*2H2O: A comparison of the crystal structures and their magnetic behavior
Ghose, S.; Wan, C.; American Mineralogist 63 (1978) 172–179; doi:

data_9000601
_publ_section_title
;
 Salesite, CuIO3(OH), and Cu(IO3)2*2H2O: A comparison of the crystal
 structures and their magnetic behavior
;
_journal_name_full               'American Mineralogist'
_journal_page_first              172
_journal_page_last               179
_journal_volume                  63
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu H I O4'
_chemical_name_mineral           Salesite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.784
_cell_length_b                   6.708
_cell_length_c                   4.781
_cell_volume                     345.853
_database_code_amcsd             0000612
_exptl_crystal_density_diffrn    4.906
_cod_original_formula_sum        'Cu I O4 H'
_cod_database_code               9000601
Salesite, CuIO3(OH), and Cu(IO3)2*2H2O: A comparison of the crystal structures and their magnetic behavior
Ghose, S.; Wan, C.; American Mineralogist 63 (1978) 172–179; doi:

data_9000602
_publ_section_title
;
 Salesite, CuIO3(OH), and Cu(IO3)2*2H2O: A comparison of the crystal
 structures and their magnetic behavior
;
_journal_name_full               'American Mineralogist'
_journal_page_first              172
_journal_page_last               179
_journal_volume                  63
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_structural     'Cu (I O3)2 * 2(H2 O)'
_chemical_formula_sum            'Cu H4 I2 O8'
_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                 103.34
_cell_angle_gamma                90
_cell_length_a                   6.728
_cell_length_b                   4.813
_cell_length_c                   11.165
_cell_formula_units_Z            2
_cell_volume                     351.788
_database_code_amcsd             0000613
_exptl_crystal_density_diffrn    4.242
_cod_original_formula_sum        'Cu I2 O8 H4'
_cod_database_code               9000602
_amcsd_formula_title             Cu(IO3)2*2H2O
The crystal structure of paramelaconite, Cu4O3
O'Keeffe M; Bovin, J. O.; American Mineralogist 63 (1978) 180–185; doi:

data_9000603
_publ_section_title
;
 The crystal structure of paramelaconite, Cu4O3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              180
_journal_page_last               185
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Cu4 O3'
_chemical_name_mineral           Paramelaconite
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.837
_cell_length_b                   5.837
_cell_length_c                   9.932
_cell_formula_units_Z            4
_cell_volume                     338.389
_database_code_amcsd             0000614
_exptl_crystal_density_diffrn    5.931
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_database_code               9000603
Refinement of the margarite structure in subgroup symmetry: correction, further refinement, and comments
Guggenheim, S.; Bailey, S. W.; American Mineralogist 63 (1978) 186–187; doi:

data_9000604
_publ_section_title
;
 Refinement of the margarite structure in subgroup symmetry: correction,
 further refinement, and comments
;
_journal_name_full               'American Mineralogist'
_journal_page_first              186
_journal_page_last               187
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Al4 Ca H2 O12 Si2'
_chemical_name_mineral           Margarite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.5
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.104
_cell_length_b                   8.829
_cell_length_c                   19.148
_cell_volume                     858.898
_database_code_amcsd             0000615
_exptl_crystal_density_diffrn    3.079
_cod_original_formula_sum        'Ca Al4 Si2 O12 H2'
_cod_database_code               9000604
Hydroxyapophyllite, a new mineral, and a redefinition of the apophyllite group II. Crystal structure Note: sample is from Kimberley, South Africa
Rouse R C; Peacor D R; Dunn P J; American Mineralogist 63 (1978) 196–202; doi:

data_9000605
_publ_section_title
;Hydroxyapophyllite, a new mineral, and a redefinition of the apophyllite
 group II. Crystal structure Note: sample is from Kimberley, South Africa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              196
_journal_page_last               202
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Ca4 H17 K O29 Si8'
_chemical_name_mineral           Hydroxyapophyllite
_space_group_IT_number           128
_symmetry_space_group_name_Hall  '-P 4 2n'
_symmetry_space_group_name_H-M   'P 4/m n c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.979
_cell_length_b                   8.979
_cell_length_c                   15.830
_cell_volume                     1276.253
_cod_original_formula_sum        'K Ca4 Si8 O29 H17'
_cod_database_code               9000605
_database_code_amcsd             0000617
The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, wollastonite, and the pectolite-schizolite-serandite series sample Mn-BS, from Mitsuka, Gifu, Japan
Ohashi, Y.; Finger, L. W.; American Mineralogist 63 (1978) 274–288; doi:

data_9000606
_publ_section_title
;The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite,
 wollastonite, and the pectolite-schizolite-serandite series sample Mn-BS,
 from Mitsuka, Gifu, Japan
;
_journal_name_full               'American Mineralogist'
_journal_page_first              274
_journal_page_last               288
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Ca0.36 Mn0.64 O3 Si'
_chemical_name_mineral           Bustamite
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                99.58
_cell_angle_beta                 99.99
_cell_angle_gamma                83.79
_cell_formula_units_Z            12
_cell_length_a                   9.807
_cell_length_b                   10.680
_cell_length_c                   7.091
_cell_volume                     718.832
_database_code_amcsd             0000618
_exptl_crystal_density_diffrn    3.484
_cod_original_formula_sum        '(Mn.64 Ca.36) Si O3'
_cod_database_code               9000606
The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, wollastonite, and the pectolite-schizolite-serandite series sample BS, from Hijikuzu, Iwate, Japan
Ohashi, Y.; Finger, L. W.; American Mineralogist 63 (1978) 274–288; doi:

data_9000607
_publ_section_title
;The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite,
 wollastonite, and the pectolite-schizolite-serandite series sample BS, from
 Hijikuzu, Iwate, Japan
;
_journal_name_full               'American Mineralogist'
_journal_page_first              274
_journal_page_last               288
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Ca3.11 Mn2.89 O18 Si6'
_chemical_name_mineral           Bustamite
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                99.53
_cell_angle_beta                 99.71
_cell_angle_gamma                83.83
_cell_formula_units_Z            2
_cell_length_a                   9.864
_cell_length_b                   10.790
_cell_length_c                   7.139
_cell_volume                     736.123
_database_code_amcsd             0000619
_exptl_crystal_density_diffrn    3.338
_cod_original_formula_sum        'Mn2.89 Ca3.11 Si6 O18'
_cod_database_code               9000607
The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, wollastonite, and the pectolite-schizolite-serandite series sample Ca-BS, from Hijikuzu, Iwate, Japan
Ohashi, Y.; Finger, L. W.; American Mineralogist 63 (1978) 274–288; doi:

data_9000608
_publ_section_title
;The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite,
 wollastonite, and the pectolite-schizolite-serandite series sample Ca-BS,
 from Hijikuzu, Iwate, Japan
;
_journal_name_full               'American Mineralogist'
_journal_page_first              274
_journal_page_last               288
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Ca4.88 Mn1.12 O18 Si6'
_chemical_name_mineral           Bustamite
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                99.30
_cell_angle_beta                 100.56
_cell_angle_gamma                83.29
_cell_formula_units_Z            2
_cell_length_a                   9.994
_cell_length_b                   10.946
_cell_length_c                   7.231
_cell_volume                     764.303
_database_code_amcsd             0000620
_exptl_crystal_density_diffrn    3.101
_cod_original_formula_sum        'Ca4.88 Mn1.12 Si6 O18'
_cod_database_code               9000608
The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, wollastonite, and the pectolite-schizolite-serandite series sample Mn-WO, from Broken Hill, New South Wales, Australia
Ohashi, Y.; Finger, L. W.; American Mineralogist 63 (1978) 274–288; doi:

data_9000609
_publ_section_title
;The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite,
 wollastonite, and the pectolite-schizolite-serandite series sample Mn-WO,
 from Broken Hill, New South Wales, Australia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              274
_journal_page_last               288
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Ca0.96 Mn0.04 O3 Si'
_chemical_name_mineral           Wollastonite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                99.51
_cell_angle_beta                 100.51
_cell_angle_gamma                83.43
_cell_formula_units_Z            12
_cell_length_a                   10.121
_cell_length_b                   11.070
_cell_length_c                   7.312
_cell_volume                     791.412
_database_code_amcsd             0000621
_exptl_crystal_density_diffrn    2.940
_cod_original_formula_sum        '(Ca.96 Mn.04) Si O3'
_cod_database_code               9000609
The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, wollastonite, and the pectolite-schizolite-serandite series sample Fe-WO, from Scawt Hill, Antrim County, Ireland
Ohashi, Y.; Finger, L. W.; American Mineralogist 63 (1978) 274–288; doi:

data_9000610
_publ_section_title
;The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite,
 wollastonite, and the pectolite-schizolite-serandite series sample Fe-WO,
 from Scawt Hill, Antrim County, Ireland
;
_journal_name_full               'American Mineralogist'
_journal_page_first              274
_journal_page_last               288
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Ca0.957 Fe0.043 O3 Si'
_chemical_name_mineral           Wollastonite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                99.53
_cell_angle_beta                 100.56
_cell_angle_gamma                83.44
_cell_length_a                   10.104
_cell_length_b                   11.054
_cell_length_c                   7.305
_cell_formula_units_Z            12
_cell_volume                     788.037
_database_code_amcsd             0000622
_exptl_crystal_density_diffrn    2.955
_cod_original_formula_sum        '(Ca.957 Fe.043) Si O3'
_cod_database_code               9000610
The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, wollastonite, and the pectolite-schizolite-serandite series sample SRN, from Rouma, Island of Los, Guinea
Ohashi, Y.; Finger, L. W.; American Mineralogist 63 (1978) 274–288; doi:

data_9000611
_publ_section_title
;The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite,
 wollastonite, and the pectolite-schizolite-serandite series sample SRN, from
 Rouma, Island of Los, Guinea
;
_journal_name_full               'American Mineralogist'
_journal_page_first              274
_journal_page_last               288
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Ca0.34 Mn1.66 Na O9 Si3'
_chemical_name_mineral           Serandite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                99.10
_cell_angle_beta                 100.51
_cell_angle_gamma                82.49
_cell_formula_units_Z            4
_cell_length_a                   9.909
_cell_length_b                   10.667
_cell_length_c                   6.913
_cell_volume                     705.483
_database_code_amcsd             0000623
_exptl_crystal_density_diffrn    3.352
_cod_original_formula_sum        'Mn1.66 Ca.34 Na Si3 O9'
_cod_database_code               9000611
The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite, wollastonite, and the pectolite-schizolite-serandite series sample SCH, from Kangerdluarsuk, Julianehaab, Greenland
Ohashi, Y.; Finger, L. W.; American Mineralogist 63 (1978) 274–288; doi:

data_9000612
_publ_section_title
;The role of octahedral cations in pyroxenoid crystal chemistry. I. Bustamite,
 wollastonite, and the pectolite-schizolite-serandite series sample SCH, from
 Kangerdluarsuk, Julianehaab, Greenland
;
_journal_name_full               'American Mineralogist'
_journal_page_first              274
_journal_page_last               288
_journal_volume                  63
_journal_year                    1978
_chemical_compound_source        'Kangerdluarsuk, Julianehaab, Greenland'
_chemical_formula_sum            'Ca1.23 Mn0.77 Na O9 Si3'
_chemical_name_mineral           Pectolite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                98.84
_cell_angle_beta                 100.58
_cell_angle_gamma                82.64
_cell_formula_units_Z            4
_cell_length_a                   10.059
_cell_length_b                   10.880
_cell_length_c                   6.978
_cell_volume                     737.853
_database_code_amcsd             0000624
_exptl_crystal_density_diffrn    3.086
_cod_original_formula_sum        '(Ca1.23 Mn.77) Na Si3 O9'
_cod_database_code               9000612
The crystal structures and compressibilities of layer minerals at high pressure. I. SnS2, berndtite P = 1 atm
Hazen, R. M.; Finger, L. W.; American Mineralogist 63 (1978) 289–292; doi:

data_9000613
_publ_section_title
;
 The crystal structures and compressibilities of layer minerals at high
 pressure.  I. SnS2, berndtite
 P = 1 atm
;
_journal_name_full               'American Mineralogist'
_journal_page_first              289
_journal_page_last               292
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'S2 Sn'
_chemical_name_mineral           Berndtite-2T
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.638
_cell_length_b                   3.638
_cell_length_c                   5.880
_cell_formula_units_Z            1
_cell_volume                     67.396
_database_code_amcsd             0000625
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    4.505
_cod_original_formula_sum        'Sn S2'
_cod_database_code               9000613
The crystal structures and compressibilities of layer minerals at high pressure. I. SnS2, berndtite P = 12 kbar
Hazen, R. M.; Finger, L. W.; American Mineralogist 63 (1978) 289–292; doi:

data_9000614
_publ_section_title
;
 The crystal structures and compressibilities of layer minerals at high
 pressure.  I. SnS2, berndtite
 P = 12 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              289
_journal_page_last               292
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'S2 Sn'
_chemical_name_mineral           Berndtite-2T
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.616
_cell_length_b                   3.616
_cell_length_c                   5.680
_cell_formula_units_Z            1
_cell_volume                     64.318
_database_code_amcsd             0000626
_diffrn_ambient_pressure         1.2e+06
_exptl_crystal_density_diffrn    4.721
_cod_original_formula_sum        'Sn S2'
_cod_database_code               9000614
The crystal structures and compressibilities of layer minerals at high pressure. I. SnS2, berndtite P = 30 kbar
Hazen, R. M.; Finger, L. W.; American Mineralogist 63 (1978) 289–292; doi:

data_9000615
_publ_section_title
;
 The crystal structures and compressibilities of layer minerals at high
 pressure.  I. SnS2, berndtite
 P = 30 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              289
_journal_page_last               292
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'S2 Sn'
_chemical_name_mineral           Berndtite-2T
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.605
_cell_length_b                   3.605
_cell_length_c                   5.460
_cell_formula_units_Z            1
_cell_volume                     61.452
_database_code_amcsd             0000627
_diffrn_ambient_pressure         3e+06
_exptl_crystal_density_diffrn    4.941
_cod_original_formula_sum        'Sn S2'
_cod_database_code               9000615
The crystal structures and compressibilities of layer minerals at high pressure. II. Phlogopite and chlorite P = 35 kbar, sample is from Franklin, New Jersey, USA
Hazen, R. M.; Finger, L. W.; American Mineralogist 63 (1978) 293–296; doi:

data_9000616
_publ_section_title
;
 The crystal structures and compressibilities of layer minerals at high
 pressure. II. Phlogopite and chlorite
 P = 35 kbar, sample is from Franklin, New Jersey, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              293
_journal_page_last               296
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum
'Al1.048 Ba0.05 F1.3 H0.7 K0.76 Mg3 Na0.16 O10.7 Si2.952'
_chemical_name_mineral           Fluorophlogopite
_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                 100.68
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.260
_cell_length_b                   9.100
_cell_length_c                   9.791
_cell_volume                     460.538
_database_code_amcsd             0000628
_diffrn_ambient_pressure         3.5e+06
_exptl_crystal_density_diffrn    3.036
_cod_original_formula_sum
'(Si2.952 Al1.048) Mg3 K.76 Na.16 Ba.05 O10.7 (F1.3 H.7)'
_cod_database_code               9000616
Crystal structures and compressibilities of pyrope and grossular to 60 kbar P = 1 bar
Hazen, R. M.; Finger, L. W.; American Mineralogist 63 (1978) 297–303; doi:

data_9000617
_publ_section_title
;
 Crystal structures and compressibilities of pyrope and grossular to 60 kbar
 P = 1 bar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              297
_journal_page_last               303
_journal_volume                  63
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Mg3 O12 Si3'
_chemical_name_mineral           Pyrope
_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                   11.456
_cell_length_b                   11.456
_cell_length_c                   11.456
_cell_formula_units_Z            8
_cell_volume                     1503.485
_database_code_amcsd             0000629
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    3.562
_cod_original_formula_sum        'Mg3 Al2 Si3 O12'
_cod_database_code               9000617
Crystal structures and compressibilities of pyrope and grossular to 60 kbar P = 16 kbar
Hazen, R. M.; Finger, L. W.; American Mineralogist 63 (1978) 297–303; doi:

data_9000618
_publ_section_title
;
 Crystal structures and compressibilities of pyrope and grossular to 60 kbar
 P = 16 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              297
_journal_page_last               303
_journal_volume                  63
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Mg3 O12 Si3'
_chemical_name_mineral           Pyrope
_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                   11.412
_cell_length_b                   11.412
_cell_length_c                   11.412
_cell_formula_units_Z            8
_cell_volume                     1486.227
_database_code_amcsd             0000630
_diffrn_ambient_pressure         1.6e+06
_exptl_crystal_density_diffrn    3.603
_cod_original_formula_sum        'Mg3 Al2 Si3 O12'
_cod_database_code               9000618