LMucko/crystallography-open-database huggingface dataset:
Structure cristalline du diphosphate SrCuP2O7
Moqine, A.; Boukhari, A.; Elammari, L.; Durand, J.; Journal of Solid State Chemistry 107 (1993) 368–372; doi:10.1006/jssc.1993.1360

data_1545051
_publ_section_title
;
 Structure cristalline du diphosphate SrCuP2O7
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              368
_journal_page_last               372
_journal_paper_doi               10.1006/jssc.1993.1360
_journal_volume                  107
_journal_year                    1993
_chemical_formula_sum            'Cu O7 P2 Sr'
_chemical_formula_weight         325.109
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.
_cell_angle_beta                 90.59(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.455(2)
_cell_length_b                   8.129(1)
_cell_length_c                   5.369(1)
_cell_volume                     543.56(15)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    14.01
_exptl_crystal_density_diffrn    3.97
_exptl_crystal_density_meas      3.93
_exptl_crystal_F_000             612
_refine_ls_number_reflns         1386
_refine_ls_R_factor_gt           0.046
_refine_ls_wR_factor_gt          0.044
_cod_data_source_file            JSSC-1993-107-368-372.cif
_cod_data_source_block           SrCuP2O7
_cod_original_cell_volume        543.57(15)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1545051
Structure cristalline de NaAlAs2O7
Driss, Ahmed; Jouini, Tahar; Journal of Solid State Chemistry 112 (1994) 277–280; doi:10.1006/jssc.1994.1304

data_1545052
_publ_section_title
;
 Structure cristalline de NaAlAs2O7
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              277
_journal_page_last               280
_journal_paper_doi               10.1006/jssc.1994.1304
_journal_volume                  112
_journal_year                    1994
_chemical_formula_sum            'Al As2 Na O7'
_chemical_formula_weight         311.81
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 107.51(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.9114(7)
_cell_length_b                   8.1345(12)
_cell_length_c                   9.5446(10)
_cell_volume                     511.74(11)
_diffrn_ambient_temperature      292
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    13.298
_exptl_crystal_density_diffrn    4.047
_exptl_crystal_density_meas      4.02
_exptl_crystal_F_000             584
_refine_ls_number_parameters     100
_refine_ls_number_reflns         1023
_refine_ls_R_factor_gt           0.039
_refine_ls_wR_factor_gt          0.038
_cod_data_source_file            JSSC-1994-112-277-280.cif
_cod_data_source_block           NaAlAs2O7
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1545052
Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics
Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi; Metals 6 (2016) 165–; doi:10.3390/met6070165

data_1545053
_publ_section_title
;
 Hydrostatic Compression Behavior and High-Pressure Stabilized \b-Phase in
 \g-Based Titanium Aluminide Intermetallics
;
_journal_issue                   7
_journal_name_full               Metals
_journal_page_first              165
_journal_paper_doi               10.3390/met6070165
_journal_volume                  6
_journal_year                    2016
_chemical_formula_structural     'Al Ti'
_chemical_formula_sum            'Al Ti'
_space_group_IT_number           123
_symmetry_Int_Tables_number      123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   4.01867
_cell_length_b                   4.01867
_cell_length_c                   4.06542
_cell_measurement_pressure       100
_cell_measurement_temperature    300.0
_cell_volume                     65.655
_cod_data_source_file            gamma-TiAl-M1472002.cif
_cod_data_source_block           global
_cod_depositor_comments
;add the pressure:
 _cell_measurement_pressure 100
;
_cod_original_cell_volume        65.655348
_cod_original_formula_sum        'Al1 Ti1'
_cod_database_code               1545053
Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics
Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi; Metals 6 (2016) 165–; doi:10.3390/met6070165

data_1545054
_publ_section_title
;
 Hydrostatic Compression Behavior and High-Pressure Stabilized \b-Phase in
 \g-Based Titanium Aluminide Intermetallics
;
_journal_issue                   7
_journal_name_full               Metals
_journal_page_first              165
_journal_paper_doi               10.3390/met6070165
_journal_volume                  6
_journal_year                    2016
_chemical_formula_structural     'Al Ti3'
_chemical_formula_sum            'Al Ti3'
_space_group_IT_number           194
_symmetry_Int_Tables_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_formula_units_Z            2
_cell_length_a                   5.76803
_cell_length_b                   5.76803
_cell_length_c                   4.64241
_cell_measurement_pressure       100
_cell_measurement_temperature    300.0
_cell_volume                     133.761
_cod_data_source_file            alpha2-TiAl-M1472002.cif
_cod_data_source_block           global
_cod_original_formula_sum        'Al1 Ti3'
_cod_database_code               1545054
Etudes cristallographiques magnetique et par resonance Mossbauer de la variete de haute temperature du pyrophosphate NaFeP2O7
Moya-Pizarro, Tomas; Salmon, Roger; Fournes, Leopold; Le Flem, Gilles; Wanklyn, Barbara; Hagenmuller, Paul; Journal of Solid State Chemistry 53 (1984) 387–397; doi:10.1016/0022-4596(84)90117-8

data_1545058
_publ_section_title
;
 Etudes cristallographiques magnetique et par resonance Mossbauer de la
 variete de haute temperature du pyrophosphate NaFeP2O7
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              387
_journal_page_last               397
_journal_paper_doi               10.1016/0022-4596(84)90117-8
_journal_volume                  53
_journal_year                    1984
_chemical_formula_sum            'Fe Na O7 P2'
_chemical_formula_weight         252.778
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 111.85(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.298(2)
_cell_length_b                   7.847(2)
_cell_length_c                   9.536(3)
_cell_volume                     506.9(3)
_diffrn_ambient_temperature      300
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.70926
_exptl_absorpt_coefficient_mu    3.672
_exptl_crystal_density_diffrn    3.312
_exptl_crystal_F_000             492
_refine_ls_number_reflns         1481
_refine_ls_R_factor_gt           0.044
_cod_data_source_file            JSSC-1984-53-387-397.cif
_cod_data_source_block           NaFeP2O7
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Na Fe O7 P2'
_cod_database_code               1545058
Refinement of the crystal structure of NH4H2AsO4 above and below antiferroelectric phase-transition temperature
Fukami, Takanori; Journal of the Physical Society of Japan 58 (1989) 3429–3430; doi:10.1143/JPSJ.58.3429

data_1545059
_publ_section_title
;
 Refinement of the crystal structure of NH4H2AsO4 above and below
 antiferroelectric phase-transition temperature
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              3429
_journal_page_last               3430
_journal_paper_doi               10.1143/JPSJ.58.3429
_journal_volume                  58
_journal_year                    1989
_chemical_formula_moiety         'As2 O8, 2(H4 N), 4(H)'
_chemical_formula_sum            'As H6 N O4'
_chemical_formula_weight         158.973
_space_group_IT_number           122
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.674(1)
_cell_length_b                   7.674(1)
_cell_length_c                   7.709(3)
_cell_volume                     454.0(2)
_diffrn_ambient_temperature      220
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    7.377
_exptl_crystal_density_diffrn    2.326
_exptl_crystal_F_000             312
_refine_ls_number_reflns         734
_refine_ls_R_factor_gt           0.035
_cod_data_source_file            JPSJ-1989-58-3429-3430-1.cif
_cod_data_source_block           NH4H2AsO4-220K
_cod_original_formula_sum        'H6 As N O4'
_cod_database_code               1545059
Refinement of the crystal structure of NH4H2AsO4 above and below antiferroelectric phase-transition temperature
Fukami, Takanori; Journal of the Physical Society of Japan 58 (1989) 3429–3430; doi:10.1143/JPSJ.58.3429

data_1545060
_publ_section_title
;
 Refinement of the crystal structure of NH4H2AsO4 above and below
 antiferroelectric phase-transition temperature
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              3429
_journal_page_last               3430
_journal_paper_doi               10.1143/JPSJ.58.3429
_journal_volume                  58
_journal_year                    1989
_chemical_formula_sum            'As H6 N O4'
_chemical_formula_weight         158.973
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.689(2)
_cell_length_b                   7.719(2)
_cell_length_c                   7.654(4)
_cell_volume                     454.3(3)
_diffrn_ambient_temperature      212
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    7.373
_exptl_crystal_density_diffrn    2.324
_exptl_crystal_F_000             312
_refine_ls_number_reflns         1869
_refine_ls_R_factor_gt           0.041
_cod_data_source_file            JPSJ-1989-58-3429-3430-2.cif
_cod_data_source_block           NH4H2AsO4-220K
_cod_depositor_comments
;
Probable coordinate error on HN1
;
_cod_original_cell_volume        454.3(5)
_cod_original_formula_sum        'H6 As N O4'
_cod_database_code               1545060
Preparation of pyrochlore type Na0.39Bi3.47O7 containing Bi5+ by low temperature hydrothermal reaction
Kinomura, N.; Hosoda, M.; Kumada, N.; Kojima, H.; Journal of the Ceramic Society of Japan 101 (1993) 966–968; doi:

data_1545061
_publ_section_title
;
 Preparation of pyrochlore type Na0.39Bi3.47O7 containing Bi5+ by low
 temperature hydrothermal reaction
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              966
_journal_page_last               968
_journal_volume                  101
_journal_year                    1993
_chemical_formula_sum            'Bi3.47 Na0.39 O7'
_chemical_name_common            'Na0.39Bi3.47O7 pyrochlore'
_space_group_IT_number           227
_space_group_name_H-M_alt        'F d -3 m'
_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_formula_units_Z            8
_cell_length_a                   10.943(8)
_cell_length_b                   10.943(8)
_cell_length_c                   10.943(8)
_cell_volume                     1310.4(17)
_cod_data_source_file            Na0.39Bi3.45O7.cif
_cod_data_source_block           Na-pyrochlore
_cod_original_formula_sum        'Na0.39 Bi3.47 O7'
_cod_database_code               1545061
Changes in crystal structure and ferroelectric properties of Sr-Ce-Bi-Ta-Si-O ferroelectric material by Ce substitution, Bi-Si-O addition
Idemoto, Y.; Taniyama, S.; Journal of the Ceramic Society of Japan 115 (2007) 960–966; doi:

data_1545062
_publ_section_title
;
 Changes in crystal structure and ferroelectric properties of
 Sr-Ce-Bi-Ta-Si-O ferroelectric material by Ce substitution, Bi-Si-O
 addition
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              960
_journal_page_last               966
_journal_volume                  115
_journal_year                    2007
_chemical_formula_sum            'Bi2 Ce0.1 O9 Si0.286 Sr0.9 Ta1.714'
_chemical_name_common            (Sr0.9Ce0.1)Bi2(Ta1.714Si0.286)O9
_space_group_IT_number           36
_space_group_name_H-M_alt        'A 21 a m'
_symmetry_space_group_name_Hall  'A -2 2a'
_symmetry_space_group_name_H-M   'A 21 a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5177(4)
_cell_length_b                   5.5201(3)
_cell_length_c                   25.0229(9)
_cell_volume                     762.15(7)
_cod_data_source_file            SrCeBi2TaSiO9.cif
_cod_data_source_block           Sr-Ce-Bi-Ta-Si-O
_cod_original_formula_sum        'Sr0.9 Ce0.1 Bi2 Ta1.714 Si0.286 O9'
_cod_database_code               1545062
Preparation and crystal structure of Sr0.09Ca0.91CuO2
Yamane, H.; Miyazaki, Y.; Hirai, T.; Journal of the Ceramic Society of Japan 97 (1989) 143–147; doi:

data_1545063
_publ_section_title
;
 Preparation and crystal structure of Sr0.09Ca0.91CuO2
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              143
_journal_page_last               147
_journal_volume                  97
_journal_year                    1989
_chemical_formula_sum            'Ca0.91 Cu O2 Sr0.09'
_chemical_name_common            (Ca0.91Sr0.09)CuO2
_space_group_IT_number           123
_space_group_name_H-M_alt        'P 4/m m m'
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8581(1)
_cell_length_b                   3.8581(1)
_cell_length_c                   3.1997(1)
_cell_volume                     47.627(2)
_cod_data_source_file            CaCuO2.cif
_cod_data_source_block           CaCuO2
_cod_original_formula_sum        'Ca0.91 Sr0.09 Cu O2'
_cod_database_code               1545063
Structural refinements of ZrO2 and HfO2 treated at 600 C * 6 GPa
Suyama, R.; Horiuchi, H.; Kume, S.; Yogyo-Kyokai-Shi 95 (1987) 567–568; doi:

data_1545064
_publ_section_title
;
 Structural refinements of ZrO2 and HfO2 treated at 600 C * 6 GPa
;
_journal_name_full               Yogyo-Kyokai-Shi
_journal_page_first              567
_journal_page_last               568
_journal_volume                  95
_journal_year                    1987
_chemical_formula_sum            'Hf O2'
_chemical_name_common            'HfO2 ortho I phase'
_space_group_IT_number           57
_space_group_name_H-M_alt        'P b c m'
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.0073(1)
_cell_length_b                   5.2276(1)
_cell_length_c                   5.0580(1)
_cell_volume                     132.399(5)
_cod_data_source_file            HfO2-orthoI.cif
_cod_data_source_block           HfO2-ortho-I
_cod_database_code               1545064
Structural refinements of ZrO2 and HfO2 treated at 600 C * 6 GPa
Suyama, R.; Horiuchi, H.; Kume, S.; Yogyo-Kyokai-Shi 95 (1987) 567–568; doi:

data_1545065
_publ_section_title
;
 Structural refinements of ZrO2 and HfO2 treated at 600 C * 6 GPa
;
_journal_name_full               Yogyo-Kyokai-Shi
_journal_page_first              567
_journal_page_last               568
_journal_volume                  95
_journal_year                    1987
_chemical_formula_sum            'O2 Zr'
_chemical_name_common            'ZrO2 ortho I phase'
_space_group_IT_number           57
_space_group_name_H-M_alt        'P b c m'
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.0367(1)
_cell_length_b                   5.2546(1)
_cell_length_c                   5.0855(1)
_cell_volume                     134.592(5)
_cod_data_source_file            ZrO2-orthoI.cif
_cod_data_source_block           ZrO2-ortho-I
_cod_original_formula_sum        'Zr O2'
_cod_database_code               1545065
Formation and structure of spinel solid solution in Li2O-MO-GeO2 (M=Zn,Co,Ni) system
Hirota, K.; Ohtani, M.; Mochida, N.; Ohtsuka, A.; Journal of the Ceramic Society of Japan 96 (1988) 92–96; doi:

data_1545068
_publ_section_title
;
 Formation and structure of spinel solid solution in Li2O-MO-GeO2
 (M=Zn,Co,Ni) system
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              92
_journal_page_last               96
_journal_volume                  96
_journal_year                    1988
_chemical_formula_sum            'Ge3 Li2 Ni O8'
_chemical_name_common            Li2NiGe3O8
_space_group_IT_number           212
_space_group_name_H-M_alt        'P 43 3 2'
_symmetry_space_group_name_Hall  'P 4acd 2ab 3'
_symmetry_space_group_name_H-M   'P 43 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.18100
_cell_length_b                   8.18100
_cell_length_c                   8.18100
_cell_volume                     547.544
_cod_data_source_file            Li2NiGe3O8.cif
_cod_data_source_block           Li2NiGe3O8
_cod_original_formula_sum        'Li2 Ni Ge3 O8'
_cod_database_code               1545068
Formation and structure of spinel solid solution in Li2O-MO-GeO2 (M=Zn,Co,Ni) system
Hirota, K.; Ohtani, M.; Mochida, N.; Ohtsuka, A.; Journal of the Ceramic Society of Japan 96 (1988) 92–96; doi:

data_1545069
_publ_section_title
;
 Formation and structure of spinel solid solution in Li2O-MO-GeO2
 (M=Zn,Co,Ni) system
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              92
_journal_page_last               96
_journal_volume                  96
_journal_year                    1988
_chemical_formula_sum            'Ge3 Li2 O8 Zn'
_chemical_name_common            Li2ZnGe3O8
_space_group_IT_number           212
_space_group_name_H-M_alt        'P 43 3 2'
_symmetry_space_group_name_Hall  'P 4acd 2ab 3'
_symmetry_space_group_name_H-M   'P 43 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.19300
_cell_length_b                   8.19300
_cell_length_c                   8.19300
_cell_volume                     549.957
_cod_data_source_file            Li2ZnGe3O8.cif
_cod_data_source_block           Li2ZnGe3O8
_cod_original_formula_sum        'Li2 Zn Ge3 O8'
_cod_database_code               1545069
Formation and structure of spinel solid solution in Li2O-MO-GeO2 (M=Zn,Co,Ni) system
Hirota, K.; Ohtani, M.; Mochida, N.; Ohtsuka, A.; Journal of the Ceramic Society of Japan 96 (1988) 92–96; doi:

data_1545070
_publ_section_title
;
 Formation and structure of spinel solid solution in Li2O-MO-GeO2
 (M=Zn,Co,Ni) system
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              92
_journal_page_last               96
_journal_volume                  96
_journal_year                    1988
_chemical_formula_sum            'Co Ge3 Li2 O8'
_chemical_name_common            Li2CoGe3O8
_space_group_IT_number           212
_space_group_name_H-M_alt        'P 43 3 2'
_symmetry_space_group_name_Hall  'P 4acd 2ab 3'
_symmetry_space_group_name_H-M   'P 43 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.20400
_cell_length_b                   8.20400
_cell_length_c                   8.20400
_cell_volume                     552.175
_cod_data_source_file            Li2CoGe3O8.cif
_cod_data_source_block           Li2CoGe3O8
_cod_original_formula_sum        'Li2 Co Ge3 O8'
_cod_database_code               1545070