LMucko/crystallography-open-database huggingface dataset:
Structure, phase transition and vibrational spectra of the Na H5 (P O4)2 and Na D5 (P O4)2 crystals
Baran, J.; Lis, T.; Drozd, M.; Ratajczak, H.; Journal of Molecular Structure 516 (2000) 185–202; doi:

data_1520827
_publ_section_title
;
 Structure, phase transition and vibrational spectra of the Na H5 (P O4)2
 and Na D5 (P O4)2 crystals
;
_journal_name_full               'Journal of Molecular Structure'
_journal_page_first              185
_journal_page_last               202
_journal_volume                  516
_journal_year                    2000
_chemical_formula_sum            'D5 Na O8 P2'
_chemical_name_systematic        '(Na D2 P O4) (D3 P O4)'
_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                 90.67
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.495
_cell_length_b                   7.854
_cell_length_c                   10.352
_cell_volume                     690.635
_citation_journal_id_ASTM        JMOSB4
_cod_data_source_file            Baran_JMOSB4_2000_1576.cif
_cod_data_source_block           D5Na1O8P2
_cod_original_cell_volume        690.6354
_cod_original_formula_sum        'D5 Na1 O8 P2'
_cod_database_code               1520827
Synthesis and crystal structure of (P Cl4) (Re2 Cl9)
Baranov, A.I.; Khvorykh, G.V.; Troyanov, S.I.; Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 1240–1242; doi:

data_1520828
_publ_section_title
;
 Synthesis and crystal structure of (P Cl4) (Re2 Cl9)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1240
_journal_page_last               1242
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'Cl13 P Re2'
_chemical_name_systematic        '(P Cl4) (Re2 Cl9)'
_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                 99.72
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.616
_cell_length_b                   10.449
_cell_length_c                   9.397
_cell_volume                     833.854
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Baranov_ZAACAB_1999_791.cif
_cod_data_source_block           Cl13P1Re2
_cod_original_formula_sum        'Cl13 P1 Re2'
_cod_database_code               1520828
Etude de chromates, molybdates et tungstates hydrates, 1. Etude structurale de Mg Mo O4 (H2 O)5
Bars, O.; Grandjean, D.; le Marouille, J.Y.; Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1155–1157; doi:

data_2106028
_publ_section_title
;
 Etude de chromates, molybdates et tungstates hydrates, 1. Etude
 structurale de Mg Mo O4 (H2 O)5
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1155
_journal_page_last               1157
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'H10 Mg Mo O9'
_chemical_name_systematic        'Mg Mo O4 (H2 O)5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.44
_cell_angle_beta                 109.03
_cell_angle_gamma                90.31
_cell_formula_units_Z            2
_cell_length_a                   6.529
_cell_length_b                   10.706
_cell_length_c                   6.341
_cell_volume                     406.110
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Bars_ACBCAR_1977_1801.cif
_cod_data_source_block           H10Mg1Mo1O9
_cod_original_cell_volume        406.1103
_cod_original_formula_sum        'H10 Mg1 Mo1 O9'
_cod_database_code               2106028
Thermal properties of Ti3 Si C2
Barsoum, M.W.; El-Raghy, T.; Hubbard, C.R.; Rawn, C.J.; Porter, W.D.; Wang, H.; Payzant, E.A.; Journal of Physics and Chemistry of Solids 60 (1999) 429–439; doi:

data_1520829
_publ_section_title
;
 Thermal properties of Ti3 Si C2
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              429
_journal_page_last               439
_journal_volume                  60
_journal_year                    1999
_chemical_formula_sum            'C2 Si Ti3'
_chemical_name_systematic        'Ti3 Si C2'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.07378
_cell_length_b                   3.07378
_cell_length_c                   17.6803
_cell_volume                     144.666
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Barsoum_JPCSAW_1999_223.cif
_cod_data_source_block           C2Si1Ti3
_cod_original_cell_volume        144.6658
_cod_original_formula_sum        'C2 Si1 Ti3'
_cod_database_code               1520829
A neutron diffraction study of the temperature dependence of Ca2 Fe2 O5
Berastegui, P.; Hull, S.; Eriksson, S.G.; Materials Research Bulletin 34 (1999) 303–314; doi:

data_1520830
_publ_section_title
;
 A neutron diffraction study of the temperature dependence of Ca2 Fe2 O5
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              303
_journal_page_last               314
_journal_volume                  34
_journal_year                    1999
_chemical_formula_sum            'Ca2 Fe2 O5'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5946
_cell_length_b                   14.8273
_cell_length_c                   5.4307
_cell_volume                     450.492
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Berastegui_MRBUAC_1999_524.cif
_cod_data_source_block           Ca2Fe2O5
_cod_original_cell_volume        450.4919
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,y,-x)'
_cod_database_code               1520830
Crystal Structures of (Xe F3) (As F6) and (Xe F5) (As F6)
Bartlett, N.; de Boer, B.G.; Sladky, F.O.; Hollander, F.J.; Zalkin, A.; Templeton, D.H.; Inorganic Chemistry 13 (1974) 780–785; doi:

data_4343555
_publ_section_title
;
 Crystal Structures of (Xe F3) (As F6) and (Xe F5) (As F6)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              780
_journal_page_last               785
_journal_volume                  13
_journal_year                    1974
_chemical_formula_sum            'As F11 Xe'
_chemical_name_systematic        '(Xe F5) (As F6)'
_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                 91.57
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.886
_cell_length_b                   16.564
_cell_length_c                   8.051
_cell_volume                     784.643
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Bartlett_INOCAJ_1974_1188.cif
_cod_data_source_block           As1F11Xe1
_cod_original_cell_volume        784.6432
_cod_original_formula_sum        'As1 F11 Xe1'
_cod_database_code               4343555
Die Kristallstrukturen von K4 (P O2 N H)4 (H2 O)4, Cs4 (P O2 N H)4 (H2 O)6 und die Konformationsisomerie des ringfoermigen Anions (P O2 N H)4(4-)
Berking, B.; Mootz, D.; Acta Crystallographica B (24,1968-38,1982) 27 (1971) 740–747; doi:

data_2106029
_publ_section_title
;
 Die Kristallstrukturen von K4 (P O2 N H)4 (H2 O)4, Cs4 (P O2 N H)4 (H2
 O)6 und die Konformationsisomerie des ringfoermigen Anions (P O2 N
 H)4(4-)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              740
_journal_page_last               747
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'H12 K4 N4 O12 P4'
_chemical_name_systematic        'K4 (P O2 N H)4 (H2 O)4'
_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                 57.91
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.786
_cell_length_b                   10.371
_cell_length_c                   14.335
_cell_volume                     854.724
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Berking_ACBCAR_1971_1769.cif
_cod_data_source_block           H12K4N4O12P4
_cod_original_cell_volume        854.7235
_cod_database_code               2106029
A-site cation-vacancy ordering in Sr1-3x/2 Lax Ti O3: a study by HRTEM
Battle, P.D.; Bennett, J.E.; Sloan, J.; Tilley, R.J.D.; Vente, J.F.; Journal of Solid State Chemistry 149 (2000) 360–369; doi:

data_1520831
_publ_section_title
;
 A-site cation-vacancy ordering in Sr1-3x/2 Lax Ti O3: a study by HRTEM
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              360
_journal_page_last               369
_journal_volume                  149
_journal_year                    2000
_chemical_formula_sum            'La0.5 O3 Sr0.25 Ti'
_chemical_name_systematic        '(Sr0.25 La0.5) (Ti O3)'
_space_group_IT_number           50
_symmetry_space_group_name_Hall  '-P 2ab 2b'
_symmetry_space_group_name_H-M   'P b a n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4937
_cell_length_b                   5.4964
_cell_length_c                   7.7676
_cell_volume                     234.547
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Battle_JSSCBI_2000_1735.cif
_cod_data_source_block           La0.5O3Sr0.25Ti1
_cod_original_cell_volume        234.5471
_cod_original_formula_sum        'La0.5 O3 Sr0.25 Ti1'
_cod_database_code               1520831
Die Kristallstrukturen von K4 (P O2 N H)4 (H2 O)4, Cs4 (P O2 N H)4 (H2 O)6 und die Konformationsisomerie des ringfoermigen Anions (P O2 N H)4(4-)
Berking, B.; Mootz, D.; Acta Crystallographica B (24,1968-38,1982) 27 (1971) 740–747; doi:

data_2106030
_publ_section_title
;
 Die Kristallstrukturen von K4 (P O2 N H)4 (H2 O)4, Cs4 (P O2 N H)4 (H2
 O)6 und die Konformationsisomerie des ringfoermigen Anions (P O2 N
 H)4(4-)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              740
_journal_page_last               747
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'Cs4 H16 N4 O14 P4'
_chemical_name_systematic        'Cs4 (P O2 N H)4 (H2 O)6'
_space_group_IT_number           137
_symmetry_space_group_name_Hall  'P 4n 2n -1n'
_symmetry_space_group_name_H-M   'P 42/n m c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.693
_cell_length_b                   9.693
_cell_length_c                   11.306
_cell_volume                     1062.247
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Berking_ACBCAR_1971_1776.cif
_cod_data_source_block           H16Cs4N4O14P4
_cod_original_sg_symbol_Hall     '-P 4ac 2a (x-1/4,y+1/4,z+1/4)'
_cod_original_formula_sum        'H16 Cs4 N4 O14 P4'
_cod_database_code               2106030
A-site cation-vacancy ordering in Sr1-3x/2 Lax Ti O3: a study by HRTEM
Battle, P.D.; Tilley, R.J.D.; Bennett, J.E.; Vente, J.F.; Sloan, J.; Journal of Solid State Chemistry 149 (2000) 360–369; doi:

data_1520832
_publ_section_title
;
 A-site cation-vacancy ordering in Sr1-3x/2 Lax Ti O3: a study by HRTEM
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              360
_journal_page_last               369
_journal_volume                  149
_journal_year                    2000
_chemical_formula_sum            'La0.6 O3 Sr0.1 Ti'
_chemical_name_systematic        '(Sr0.1 La0.6) (Ti O3)'
_space_group_IT_number           50
_symmetry_space_group_name_Hall  '-P 2ab 2b'
_symmetry_space_group_name_H-M   'P b a n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4925
_cell_length_b                   5.4937
_cell_length_c                   7.7562
_cell_volume                     234.037
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Battle_JSSCBI_2000_1736.cif
_cod_data_source_block           La0.6O3Sr0.1Ti1
_cod_original_cell_volume        234.0367
_cod_original_formula_sum        'La0.6 O3 Sr0.1 Ti1'
_cod_database_code               1520832
Czochralski growth and structural investigations of La1-x Ndx Ga O3 solid solution single crystals
Berkowski, M.; Fink-Finowicki, J.; Piekarczyk, W.; Perchuc, L.; Byszewski, P.; Vasylechko, L.O.; Mazur, K.; Savitskii, D.I.; Sass, J.; Kowalska, E.; Kapusniak, J.; Journal of Crystal Growth 209 (2000) 75–80; doi:

data_1520833
_publ_section_title
;
 Czochralski growth and structural investigations of La1-x Ndx Ga O3 solid
 solution single crystals
;
_journal_name_full               'Journal of Crystal Growth'
_journal_page_first              75
_journal_page_last               80
_journal_volume                  209
_journal_year                    2000
_chemical_formula_sum            'Ga La0.38 Nd0.62 O3'
_chemical_name_systematic        '(La0.38 Nd0.62) (Ga O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.45934
_cell_length_b                   5.49363
_cell_length_c                   7.7366
_cell_volume                     232.033
_citation_journal_id_ASTM        JCRGAE
_cod_data_source_file            Berkowski_JCRGAE_2000_1519.cif
_cod_data_source_block           Ga1La0.38Nd0.62O3
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Ga1 La0.38 Nd0.62 O3'
_cod_database_code               1520833
Synthesis and crystal structure of Ni (V O3)2 . 4(H2 O) and alpha-(Ni (V O3)2 . 2(H2 O))
Baudrin, E.; Touboul, M.; Nowogrocki, G.; Journal of Solid State Chemistry 152 (2000) 511–516; doi:

data_1520834
_publ_section_title
;
 Synthesis and crystal structure of Ni (V O3)2 . 4(H2 O) and alpha-(Ni (V
 O3)2 . 2(H2 O))
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              511
_journal_page_last               516
_journal_volume                  152
_journal_year                    2000
_chemical_formula_sum            'H8 Ni O10 V2'
_chemical_name_systematic        'Ni (V O3)2 (H2 O)4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.14
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.969
_cell_length_b                   9.817
_cell_length_c                   6.88
_cell_volume                     811.352
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Baudrin_JSSCBI_2000_1918.cif
_cod_data_source_block           H8Ni1O10V2
_cod_original_cell_volume        811.3521
_cod_original_formula_sum        'H8 Ni1 O10 V2'
_cod_database_code               1520834
Synthesis and crystal structure of Ni (V O3)2 . 4(H2 O) and alpha-(Ni (V O3)2 . 2(H2 O))
Baudrin, E.; Touboul, M.; Nowogrocki, G.; Journal of Solid State Chemistry 152 (2000) 511–516; doi:

data_1520835
_publ_section_title
;
 Synthesis and crystal structure of Ni (V O3)2 . 4(H2 O) and alpha-(Ni (V
 O3)2 . 2(H2 O))
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              511
_journal_page_last               516
_journal_volume                  152
_journal_year                    2000
_chemical_formula_sum            'H4 Ni O8 V2'
_chemical_name_systematic        'Ni (V O3)2 (H2 O)2'
_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                   5.53
_cell_length_b                   10.621
_cell_length_c                   11.756
_cell_volume                     690.478
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Baudrin_JSSCBI_2000_1920.cif
_cod_data_source_block           H4Ni1O8V2
_cod_original_cell_volume        690.4785
_cod_original_formula_sum        'H4 Ni1 O8 V2'
_cod_database_code               1520835
Czochralski growth and structural investigations of La1-x Ndx Ga O3 solid solution single crystals
Berkowski, M.; Kapusniak, J.; Piekarczyk, W.; Fink-Finowicki, J.; Byszewski, P.; Perchuc, L.; Vasylechko, L.O.; Sass, J.; Kowalska, E.; Savitskii, D.I.; Mazur, K.; Journal of Crystal Growth 209 (2000) 75–80; doi:

data_1520836
_publ_section_title
;
 Czochralski growth and structural investigations of La1-x Ndx Ga O3 solid
 solution single crystals
;
_journal_name_full               'Journal of Crystal Growth'
_journal_page_first              75
_journal_page_last               80
_journal_volume                  209
_journal_year                    2000
_chemical_formula_sum            'Ga La0.21 Nd0.79 O3'
_chemical_name_systematic        '(La0.21 Nd0.79) (Ga O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.44594
_cell_length_b                   5.49503
_cell_length_c                   7.72501
_cell_volume                     231.176
_citation_journal_id_ASTM        JCRGAE
_cod_data_source_file            Berkowski_JCRGAE_2000_1520.cif
_cod_data_source_block           Ga1La0.21Nd0.79O3
_cod_original_cell_volume        231.1756
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Ga1 La0.21 Nd0.79 O3'
_cod_database_code               1520836
The crystal structure of the microporous solid MAPO-39 (ATN) refined from single crystal diffraction data
Baur, W.H.; Bieniok, A.; Joswig, W.; Kassner, D.; Finger, G.; Kornatowski, J.; Zeitschrift fuer Kristallographie (149,1979-) 214 (1999) 154–159; doi:

data_8103502
_publ_section_title
;
 The crystal structure of the microporous solid MAPO-39 (ATN) refined from
 single crystal diffraction data
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              154
_journal_page_last               159
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C13.16 Al6.5728 Mg0.9392 O32.168 P7.504'
_chemical_name_systematic
;
(Al6.57 Mg0.94 H0.87 (P O4)7.5 (H2 O)2.17) ((C3 H7)2 N H)2.193
;
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   13.2088
_cell_length_b                   13.2088
_cell_length_c                   5.2771
_cell_volume                     920.708
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Baur_ZEKRDZ_1999_900.cif
_cod_data_source_block           Al6.5728C13.16Mg0.9392O32.168P7.504
_cod_original_cell_volume        920.7084
_cod_original_formula_sum        'Al6.5728 C13.16 Mg0.9392 O32.168 P7.504'
_cod_database_code               8103502
The structure of ettringite
Berliner, R.; Materials Science of Concrete - The Sidney Diamond Symposium 1998 (1998) 127–141; doi:

data_1520837
_publ_section_title
;
 The structure of ettringite
;
_journal_name_full
;
Materials Science of Concrete - The Sidney Diamond Symposium
;
_journal_page_first              127
_journal_page_last               141
_journal_volume                  1998
_journal_year                    1998
_chemical_formula_sum            'Al2 Ca6 D63.8 O49.9 S3'
_chemical_name_systematic        'Ca6 (Al (O D)6)2 (S O4)3 (D2 O)25.9'
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   11.167
_cell_length_b                   11.167
_cell_length_c                   21.3603
_cell_volume                     2306.806
_citation_journal_id_ASTM        MSCOFB
_cod_data_source_file            Berliner_MSCOFB_1998_1670.cif
_cod_data_source_block           D63.8Al2Ca6O49.9S3
_cod_original_formula_sum        'D63.8 Al2 Ca6 O49.9 S3'
_cod_database_code               1520837
The Crystal Chemistry of Zirconium Sulphates. VII. The Structure of Na2 (Zr (S O4)3) (H2 O)3
Bear, I.J.; Mumme, W.G.; Acta Crystallographica B (24,1968-38,1982) 27 (1971) 494–500; doi:

data_2106031
_publ_section_title
;
 The Crystal Chemistry of Zirconium Sulphates. VII. The Structure of Na2
 (Zr (S O4)3) (H2 O)3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              494
_journal_page_last               500
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'H6 Na2 O15 S3 Zr'
_chemical_name_systematic        'Na2 (Zr (S O4)3) (H2 O)3'
_space_group_IT_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                   22.16
_cell_length_b                   7.73
_cell_length_c                   7.08
_cell_volume                     1212.781
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Bear_ACBCAR_1971_1610.cif
_cod_data_source_block           H6Na2O15S3Zr1
_cod_original_formula_sum        'H6 Na2 O15 S3 Zr1'
_cod_database_code               2106031