LMucko/crystallography-open-database huggingface dataset:
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 1363 K and P = 2.8 GPa, inversion parameter x = .571
Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.; American Mineralogist 89 (2004) 981–986; doi:

data_9003484
_publ_section_title
;
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
 diffraction up to 1600 K and 3.2 GPa
 Sample at T = 1363 K and P = 2.8 GPa, inversion parameter x = .571
;
_journal_name_full               'American Mineralogist'
_journal_page_first              981
_journal_page_last               986
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1350
_cell_length_b                   8.1350
_cell_length_c                   8.1350
_cell_formula_units_Z            8
_cell_volume                     538.360
_database_code_amcsd             0003574
_diffrn_ambient_pressure         2.8e+06
_diffrn_ambient_temperature      1363
_exptl_crystal_density_diffrn    3.510
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9003484
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 1507 K and P = 3.2 GPa, inversion parameter x = .633
Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.; American Mineralogist 89 (2004) 981–986; doi:

data_9003485
_publ_section_title
;
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
 diffraction up to 1600 K and 3.2 GPa
 Sample at T = 1507 K and P = 3.2 GPa, inversion parameter x = .633
;
_journal_name_full               'American Mineralogist'
_journal_page_first              981
_journal_page_last               986
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1452
_cell_length_b                   8.1452
_cell_length_c                   8.1452
_cell_formula_units_Z            8
_cell_volume                     540.387
_database_code_amcsd             0003575
_diffrn_ambient_pressure         3.2e+06
_diffrn_ambient_temperature      1507
_exptl_crystal_density_diffrn    3.497
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9003485
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 1058 K and P = 1.9 GPa, inversion parameter x = .524
Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.; American Mineralogist 89 (2004) 981–986; doi:

data_9003486
_publ_section_title
;
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
 diffraction up to 1600 K and 3.2 GPa
 Sample at T = 1058 K and P = 1.9 GPa, inversion parameter x = .524
;
_journal_name_full               'American Mineralogist'
_journal_page_first              981
_journal_page_last               986
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1171
_cell_length_b                   8.1171
_cell_length_c                   8.1171
_cell_formula_units_Z            8
_cell_volume                     534.814
_database_code_amcsd             0003576
_diffrn_ambient_pressure         1.9e+06
_diffrn_ambient_temperature      1058
_exptl_crystal_density_diffrn    3.534
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9003486
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 887 K and P = 1.7 GPa, inversion parameter x = .509
Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.; American Mineralogist 89 (2004) 981–986; doi:

data_9003487
_publ_section_title
;
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
 diffraction up to 1600 K and 3.2 GPa
 Sample at T = 887 K and P = 1.7 GPa, inversion parameter x = .509
;
_journal_name_full               'American Mineralogist'
_journal_page_first              981
_journal_page_last               986
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1050
_cell_length_b                   8.1050
_cell_length_c                   8.1050
_cell_formula_units_Z            8
_cell_volume                     532.426
_database_code_amcsd             0003577
_diffrn_ambient_pressure         1.7e+06
_diffrn_ambient_temperature      887
_exptl_crystal_density_diffrn    3.550
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9003487
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron diffraction up to 1600 K and 3.2 GPa Sample at T = 381 K and P = 0.5 GPa, inversion parameter x = .365
Meducin, F.; Redfern, S. A. T.; Le Godec, Y.; Stone, H. J.; Tucker, M. G.; Dove, M. T.; Marshall, W. G.; American Mineralogist 89 (2004) 981–986; doi:

data_9003488
_publ_section_title
;
 Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
 diffraction up to 1600 K and 3.2 GPa
 Sample at T = 381 K and P = 0.5 GPa, inversion parameter x = .365
;
_journal_name_full               'American Mineralogist'
_journal_page_first              981
_journal_page_last               986
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0800
_cell_length_b                   8.0800
_cell_length_c                   8.0800
_cell_formula_units_Z            8
_cell_volume                     527.514
_database_code_amcsd             0003578
_diffrn_ambient_pressure         5e+05
_diffrn_ambient_temperature      381
_exptl_crystal_density_diffrn    3.583
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9003488
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Wat represents an unknown distribution across the Wat sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001,Wat8.06] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-RT, T = 25 C
Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.; American Mineralogist 89 (2004) 1033–1042; doi:

data_9003489
_publ_section_title
;Dehydration and rehydration process in boggsite: an in-situ X-ray
 single-crystal study Note: Wat represents an unknown distribution across the
 Wat sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001,Wat8.06] Note:
 Reported occupancies are discrepant with reported formula. Sample: BOG-RT, T
 = 25 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1033
_journal_page_last               1042
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al2.42 H8.448 O30.36 Si9.58'
_chemical_name_mineral           Boggsite
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   20.291
_cell_length_b                   23.840
_cell_length_c                   12.807
_cell_volume                     6195.225
_cell_formula_units_Z            8
_database_code_amcsd             0003579
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    1.777
_cod_original_cell_volume        6195.226
_cod_original_formula_sum        '(Al2.42 Si9.58) O30.36 H8.448'
_cod_database_code               9003489
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Ca represents an unknown distribution across the Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-150, T = 150 C
Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.; American Mineralogist 89 (2004) 1033–1042; doi:

data_9003490
_publ_section_title
;Dehydration and rehydration process in boggsite: an in-situ X-ray
 single-crystal study Note: Ca represents an unknown distribution across the
 Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported
 occupancies are discrepant with reported formula. Sample: BOG-150, T = 150 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1033
_journal_page_last               1042
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al2.1 Ca0.67 H4.78 O25.31 Si9.9'
_chemical_name_mineral           Boggsite
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   20.299
_cell_length_b                   23.746
_cell_length_c                   12.814
_cell_volume                     6176.605
_cell_formula_units_Z            8
_database_code_amcsd             0003580
_diffrn_ambient_temperature      423.15
_exptl_crystal_density_diffrn    1.659
_cod_original_formula_sum        '(Al2.1 Si9.9) O25.31 Ca.67 H4.78'
_cod_database_code               9003490
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Ca represents an unknown distribution across the Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-350, T = 350 C
Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.; American Mineralogist 89 (2004) 1033–1042; doi:

data_9003491
_publ_section_title
;Dehydration and rehydration process in boggsite: an in-situ X-ray
 single-crystal study Note: Ca represents an unknown distribution across the
 Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported
 occupancies are discrepant with reported formula. Sample: BOG-350, T = 350 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1033
_journal_page_last               1042
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al2.12 Ca0.971 O24 Si9.88'
_chemical_name_mineral           Boggsite
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   20.053
_cell_length_b                   23.838
_cell_length_c                   12.850
_cell_formula_units_Z            8
_cell_volume                     6142.601
_database_code_amcsd             0003581
_diffrn_ambient_temperature      623.15
_exptl_crystal_density_diffrn    1.638
_cod_original_formula_sum        '(Al2.12 Si9.88) O24 Ca.971'
_cod_database_code               9003491
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Ca represents an unknown distribution across the Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-500, T = 500 C
Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.; American Mineralogist 89 (2004) 1033–1042; doi:

data_9003492
_publ_section_title
;Dehydration and rehydration process in boggsite: an in-situ X-ray
 single-crystal study Note: Ca represents an unknown distribution across the
 Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported
 occupancies are discrepant with reported formula. Sample: BOG-500, T = 500 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1033
_journal_page_last               1042
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al0.357 Ca0.16 O4 Si1.643'
_chemical_name_mineral           Boggsite
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   20.041
_cell_length_b                   23.814
_cell_length_c                   12.869
_cell_formula_units_Z            48
_cell_volume                     6141.812
_database_code_amcsd             0003582
_diffrn_ambient_temperature      773.15
_exptl_crystal_density_diffrn    1.638
_cod_original_formula_sum        '(Al.357 Si1.643) O4 Ca.16'
_cod_database_code               9003492
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Ca represents an unknown distribution across the Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-150-R, T = 150 C
Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.; American Mineralogist 89 (2004) 1033–1042; doi:

data_9003493
_publ_section_title
;Dehydration and rehydration process in boggsite: an in-situ X-ray
 single-crystal study Note: Ca represents an unknown distribution across the
 Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported
 occupancies are discrepant with reported formula. Sample: BOG-150-R, T = 150
 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1033
_journal_page_last               1042
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al2.14 Ca0.675 H4.78 O25.44 Si9.86'
_chemical_name_mineral           Boggsite
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   20.087
_cell_length_b                   23.800
_cell_length_c                   12.805
_cell_volume                     6121.694
_cell_formula_units_Z            8
_database_code_amcsd             0003583
_diffrn_ambient_temperature      423.15
_exptl_crystal_density_diffrn    1.679
_cod_original_formula_sum        '(Al2.14 Si9.86) O25.44 Ca.675 H4.78'
_cod_database_code               9003493
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study Note: Ca represents an unknown distribution across the Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported occupancies are discrepant with reported formula. Sample: BOG-RT-R, T = 25 C
Zanardi, S.; Cruciani, G.; Alberti, A.; Galli, E.; American Mineralogist 89 (2004) 1033–1042; doi:

data_9003494
_publ_section_title
;Dehydration and rehydration process in boggsite: an in-situ X-ray
 single-crystal study Note: Ca represents an unknown distribution across the
 Ca sites of [Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] Note: Reported
 occupancies are discrepant with reported formula. Sample: BOG-RT-R, T = 25 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1033
_journal_page_last               1042
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al2.46 H8.448 O29.182 Si9.54'
_chemical_name_mineral           Boggsite
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.295
_cell_length_b                   23.843
_cell_length_c                   12.802
_cell_volume                     6194.807
_database_code_amcsd             0003584
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    1.736
_cod_original_formula_sum        '(Al2.46 Si9.54) O29.182 H8.448'
_cod_database_code               9003494
Empressite, AgTe, from the Empress-Josephine Mine, Colorado, USA: Composition, physical properties, and determination of the crystal structure
Bindi, L.; Spry, P. G.; Cipriani, C.; American Mineralogist 89 (2004) 1043–1047; doi:

data_9003495
_publ_section_title
;
 Empressite, AgTe, from the Empress-Josephine Mine, Colorado, USA:
 Composition, physical properties, and determination of the crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1043
_journal_page_last               1047
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Ag Te'
_chemical_name_mineral           Empressite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.882
_cell_length_b                   20.100
_cell_length_c                   4.614
_cell_formula_units_Z            16
_cell_volume                     823.729
_database_code_amcsd             0003585
_exptl_crystal_density_diffrn    7.595
_cod_database_code               9003495
An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 0.5, p = 0.5, Synthesis at P=350 MPa, T=500 C
Nagashima, M.; Akasaka, M.; American Mineralogist 89 (2004) 1119–1129; doi:

data_9003496
_publ_section_title
;
 An X-ray Rietveld study of piemontite on the join
 Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
 Sample: q = 0.5, p = 0.5, Synthesis at P=350 MPa, T=500 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1119
_journal_page_last               1129
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al2.54 Ca2 H Mn0.46 O13 Si3'
_chemical_name_mineral           Piemontite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.516
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.856
_cell_length_b                   5.6291
_cell_length_c                   10.148
_cell_volume                     456.549
_database_code_amcsd             0003586
_diffrn_ambient_pressure         3.5e+05
_diffrn_ambient_temperature      773.15
_exptl_crystal_density_diffrn    3.399
_cod_original_formula_sum        'Ca2 Al2.54 Mn.46 Si3 O13 H'
_cod_database_code               9003496
An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 0.75, p = 0.75, Synthesis at P=200 MPa, T=500 C
Nagashima, M.; Akasaka, M.; American Mineralogist 89 (2004) 1119–1129; doi:

data_9003497
_publ_section_title
;
 An X-ray Rietveld study of piemontite on the join
 Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
 Sample: q = 0.75, p = 0.75, Synthesis at P=200 MPa, T=500 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1119
_journal_page_last               1129
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al2.25 Ca2 H Mn0.75 O13 Si3'
_chemical_name_mineral           Piemontite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.511
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.8530
_cell_length_b                   5.6596
_cell_length_c                   10.1501
_cell_volume                     458.981
_database_code_amcsd             0003587
_diffrn_ambient_pressure         2e+05
_diffrn_ambient_temperature      773.15
_exptl_crystal_density_diffrn    3.439
_cod_original_formula_sum        'Ca2 (Al2.25 Mn.75) Si3 O13 H'
_cod_database_code               9003497
An X-ray Rietveld study of piemontite on the join Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis Sample: q = 0.75, p = 0.75, Synthesis at P=350 MPa, T=500 C
Nagashima, M.; Akasaka, M.; American Mineralogist 89 (2004) 1119–1129; doi:

data_9003498
_publ_section_title
;
 An X-ray Rietveld study of piemontite on the join
 Ca2Al3Si3O12(OH) - Ca2Mn3+3Si3O12(OH) formed by hydrothermal synthesis
 Sample: q = 0.75, p = 0.75, Synthesis at P=350 MPa, T=500 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1119
_journal_page_last               1129
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Al2.26 Ca2 H Mn0.74 O13 Si3'
_chemical_name_mineral           Piemontite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.514
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.8548
_cell_length_b                   5.6541
_cell_length_c                   10.1546
_cell_volume                     458.820
_database_code_amcsd             0003588
_diffrn_ambient_pressure         3.5e+05
_diffrn_ambient_temperature      773.15
_exptl_crystal_density_diffrn    3.439
_cod_original_formula_sum        'Ca2 (Al2.26 Mn.74) Si3 O13 H'
_cod_database_code               9003498