LMucko/crystallography-open-database huggingface dataset:
A new high-pressure phase of Li Al O2
Li Xijun; Kobayashi, T.; Zhang Fuxiang; Sekine, T.; Kimoto, K.; Journal of Solid State Chemistry 177 (2004) 1939–1943; doi:

data_1532802
_publ_section_title
;
 A new high-pressure phase of Li Al O2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1939
_journal_page_last               1943
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Al Li O2'
_chemical_name_systematic        'Li Al O2'
_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_formula_units_Z            4
_cell_length_a                   3.8866
_cell_length_b                   3.8866
_cell_length_c                   8.3001
_cell_volume                     125.378
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            LiXijun_JSSCBI_2004_1733.cif
_cod_data_source_block           Al1Li1O2
_cod_original_cell_volume        125.3785
_cod_original_formula_sum        'Al1 Li1 O2'
_cod_database_code               1532802
Crystal structure and magnetic ordering of Mn and Ce in La0.7 Ce0.15 Ca0.15 Mn O3
Wu, S.Y.; Yang, C.C.; Tsao, F.C.; Li, W.-H.; Yang, H.D.; Lynn, J.W.; Lee, K.C.; Journal of Physics: Condensed Matter 14 (2002) 12585–12597; doi:

data_1532803
_publ_section_title
;
 Crystal structure and magnetic ordering of Mn and Ce in La0.7 Ce0.15
 Ca0.15 Mn O3
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              12585
_journal_page_last               12597
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum            'Ca0.147 Ce0.153 La0.7 Mn O3'
_chemical_name_systematic        '(La0.7 Ce0.153 Ca0.147) (Mn O3)'
_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                 90.109
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7655
_cell_length_b                   5.5062
_cell_length_c                   5.4883
_cell_volume                     234.670
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Wu_JCOMEL_2002_740.cif
_cod_data_source_block           Ca0.147Ce0.153La0.7Mn1O3
_cod_original_cell_volume        234.6705
_cod_original_formula_sum        'Ca0.147 Ce0.153 La0.7 Mn1 O3'
_cod_database_code               1532803
Crystal structure of Cu Cr2 Se4, Cu0.8 Co0.2 Cr2 Se4 and Cu0.4 Co0.6 Cr2 Se4
Okonska-Kozlowska, I.; Maciazek, E.; Ratuszna, A.; Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997 18 (2001) 54–57; doi:

data_1532804
_publ_section_title
;
 Crystal structure of Cu Cr2 Se4, Cu0.8 Co0.2 Cr2 Se4 and Cu0.4 Co0.6 Cr2
 Se4
;
_journal_name_full
;
Applied Crystallography: Proceedings of the XVII International Conference 
Wisla, Poland 31 August-4 September, 1997
;
_journal_page_first              54
_journal_page_last               57
_journal_volume                  18
_journal_year                    2001
_chemical_formula_sum            'Co0.2 Cr2 Cu0.8 Se4'
_chemical_name_systematic        '(Cu0.8 Co0.2) (Cr2 Se4)'
_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_formula_units_Z            8
_cell_length_a                   10.3151
_cell_length_b                   10.3151
_cell_length_c                   10.3151
_cell_volume                     1097.540
_citation_journal_id_ASTM        APCRE2
_cod_data_source_file            Okonska-Kozlowska_APCRE2_2001_294.cif
_cod_data_source_block           Co0.2Cr2Cu0.8Se4
_cod_original_cell_volume        1097.54
_cod_database_code               1532804
On the electronic and structural properties of aluminium diboride Al0.9 B2
Burkhardt, U.; Grin', Yu.; Haarmann, F.; Borrmann, H.; Gurin, V.; Schnelle, W.; Yaresko, A.; Journal of Solid State Chemistry 177 (2004) 389–394; doi:

data_1532805
_publ_section_title
;
 On the electronic and structural properties of aluminium diboride Al0.9
 B2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              389
_journal_page_last               394
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Al0.9 B2'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.005
_cell_length_b                   3.005
_cell_length_c                   3.2537
_cell_volume                     25.445
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Burkhardt_JSSCBI_2004_1839.cif
_cod_data_source_block           Al0.9B2
_cod_original_cell_volume        25.44469
_cod_database_code               1532805
Ba3 Y B3 O9 : phase transition and crystal structure
Li, X.Z.; Chen, X.L.; Wu, L.; Zhou, T.; Cao, Y.G.; Xu, Y.P.; Journal of Alloys Compd. 370 (2004) 53–58; doi:

data_1532806
_publ_section_title
;
 Ba3 Y B3 O9 : phase transition and crystal structure
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              53
_journal_page_last               58
_journal_volume                  370
_journal_year                    2004
_chemical_formula_sum            'B3 Ba3 O9 Y'
_chemical_name_systematic        'Ba3 Y (B O3)3'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.41908
_cell_length_b                   9.41908
_cell_length_c                   17.5949
_cell_volume                     1351.868
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Li_JALCEU_2004_1441.cif
_cod_data_source_block           B3Ba3O9Y1
_cod_original_formula_sum        'B3 Ba3 O9 Y1'
_cod_database_code               1532806
Effects of Sr substitution for Ba on the crystal structure, oxygen content and electrical properties of Nd (Ba1-x Srx)2 Cu3 O7-d
Wuernisha, T.; Sekizawa, K.; Takase, K.; Takano, Y.; Takahashi, Y.; Journal of Alloys Compd. 377 (2004) 216–220; doi:

data_1532807
_publ_section_title
;
 Effects of Sr substitution for Ba on the crystal structure, oxygen
 content and electrical properties of Nd (Ba1-x Srx)2 Cu3 O7-d
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              216
_journal_page_last               220
_journal_volume                  377
_journal_year                    2004
_chemical_formula_sum            'Ba Cu3 Nd O7.13 Sr'
_chemical_name_systematic        'Nd Ba Sr (Cu3 O7.13)'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8646
_cell_length_b                   3.8688
_cell_length_c                   11.6392
_cell_volume                     174.022
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Wuernisha_JALCEU_2004_1536.cif
_cod_data_source_block           Ba1Cu3Nd1O7.13Sr1
_cod_original_cell_volume        174.0219
_cod_original_formula_sum        'Ba1 Cu3 Nd1 O7.13 Sr1'
_cod_database_code               1532807
Crystal structure of Cu Cr2 Se4, Cu0.8 Co0.2 Cr2 Se4 and Cu0.4 Co0.6 Cr2 Se4
Okonska-Kozlowska, I.; Maciazek, E.; Ratuszna, A.; Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997 18 (2001) 54–57; doi:

data_1532808
_publ_section_title
;
 Crystal structure of Cu Cr2 Se4, Cu0.8 Co0.2 Cr2 Se4 and Cu0.4 Co0.6 Cr2
 Se4
;
_journal_name_full
;
Applied Crystallography: Proceedings of the XVII International Conference 
Wisla, Poland 31 August-4 September, 1997
;
_journal_page_first              54
_journal_page_last               57
_journal_volume                  18
_journal_year                    2001
_chemical_formula_sum            'Co0.6 Cr2 Cu0.4 Se4'
_chemical_name_systematic        '(Cu0.4 Co0.6) (Cr2 Se4)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.304
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.288
_cell_length_b                   3.608
_cell_length_c                   11.728
_cell_volume                     266.005
_citation_journal_id_ASTM        APCRE2
_cod_data_source_file            Okonska-Kozlowska_APCRE2_2001_295.cif
_cod_data_source_block           Co0.6Cr2Cu0.4Se4
_cod_original_cell_volume        266.0055
_cod_original_sg_symbol_Hall     '-C 2y (x,y,-x+z)'
_cod_database_code               1532808
Thermal expansion behaviour of sodium zirconium phosphate structure type phosphates containing tin
Buvaneswari, G.; Govindan Kutty, K.V.; Varadaraju, U.V.; Materials Research Bulletin 39 (2004) 475–488; doi:

data_1532809
_publ_section_title
;
 Thermal expansion behaviour of sodium zirconium phosphate structure type
 phosphates containing tin
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              475
_journal_page_last               488
_journal_volume                  39
_journal_year                    2004
_chemical_formula_sum            'Cr O12 P3 Sn Sr'
_chemical_name_systematic        'Sr Cr Sn (P O4)3'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.351
_cell_length_b                   8.351
_cell_length_c                   22.87
_cell_volume                     1381.255
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Buvaneswari_MRBUAC_2004_1938.cif
_cod_data_source_block           Cr1O12P3Sn1Sr1
_cod_original_formula_sum        'Cr1 O12 P3 Sn1 Sr1'
_cod_database_code               1532809
Crystallographical analysis of surface layers of refractory ceramics formed using combined flame spray and simultaneous laser treatment
Li, J.F.; Li, L.; Stott, F.H.; Journal of the European Ceramic Society 24 (2004) 3129–3138; doi:

data_1532810
_publ_section_title
;
 Crystallographical analysis of surface layers of refractory ceramics
 formed using combined flame spray and simultaneous laser treatment
;
_journal_name_full               'Journal of the European Ceramic Society'
_journal_page_first              3129
_journal_page_last               3138
_journal_volume                  24
_journal_year                    2004
_chemical_formula_sum            'Al4.08 Cr0.48 O9.87 Si1.44'
_chemical_name_systematic        '(Al1.52 Cr0.48) Al2.56 Si1.44 O9.87'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   7.5966
_cell_length_b                   7.68989
_cell_length_c                   2.8926
_cell_volume                     168.977
_citation_journal_id_ASTM        JECSER
_cod_data_source_file            Li_JECSER_2004_1577.cif
_cod_data_source_block           Al4.08Cr0.48O9.87Si1.44
_cod_original_cell_volume        168.9771
_cod_database_code               1532810
Effects of Sr substitution for Ba on the crystal structure, oxygen content and electrical properties of Nd (Ba1-x Srx)2 Cu3 O7-d
Wuernisha, T.; Takahashi, Y.; Sekizawa, K.; Takase, K.; Takano, Y.; Journal of Alloys Compd. 377 (2004) 216–220; doi:

data_1532811
_publ_section_title
;
 Effects of Sr substitution for Ba on the crystal structure, oxygen
 content and electrical properties of Nd (Ba1-x Srx)2 Cu3 O7-d
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              216
_journal_page_last               220
_journal_volume                  377
_journal_year                    2004
_chemical_formula_sum            'Ba1.8 Cu3 Nd O6.96 Sr0.2'
_chemical_name_systematic        'Nd Ba1.8 Sr0.2 (Cu3 O6.96)'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8646
_cell_length_b                   3.9043
_cell_length_c                   11.741
_cell_volume                     177.155
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Wuernisha_JALCEU_2004_1537.cif
_cod_data_source_block           Ba1.8Cu3Nd1O6.96Sr0.2
_cod_original_cell_volume        177.1548
_cod_original_formula_sum        'Ba1.8 Cu3 Nd1 O6.96 Sr0.2'
_cod_database_code               1532811
The crystal structure and properties of Ga2 Cr1.33 Se5, a new layered semiconductor
Okonska-Kozlowska, I.; Szamocka, K.; Malicka, E.; Heimann, J.; Gron, T.; Mydlarz, T.; Gilewski, A.; Waskowska, A.; Journal of Alloys Compd. 366 (2004) 21–27; doi:

data_1532812
_publ_section_title
;
 The crystal structure and properties of Ga2 Cr1.33 Se5, a new layered
 semiconductor
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              21
_journal_page_last               27
_journal_volume                  366
_journal_year                    2004
_chemical_formula_sum            'Cr1.33 Ga2 Se5'
_chemical_name_systematic        'Ga2 Cr1.33 Se5'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.781
_cell_length_b                   3.781
_cell_length_c                   46.807
_cell_volume                     579.502
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Okonska-Kozlowska_JALCEU_2004_1385.cif
_cod_data_source_block           Cr1.33Ga2Se5
_cod_original_cell_volume        579.5018
_cod_database_code               1532812
Thermal expansion behaviour of sodium zirconium phosphate structure type phosphates containing tin
Buvaneswari, G.; Govindan Kutty, K.V.; Varadaraju, U.V.; Materials Research Bulletin 39 (2004) 475–488; doi:

data_1532813
_publ_section_title
;
 Thermal expansion behaviour of sodium zirconium phosphate structure type
 phosphates containing tin
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              475
_journal_page_last               488
_journal_volume                  39
_journal_year                    2004
_chemical_formula_sum            'Fe O12 P3 Sn Sr'
_chemical_name_systematic        'Sr Fe Sn (P O4)3'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.398
_cell_length_b                   8.398
_cell_length_c                   22.874
_cell_volume                     1397.090
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Buvaneswari_MRBUAC_2004_1939.cif
_cod_data_source_block           Fe1O12P3Sn1Sr1
_cod_original_cell_volume        1397.09
_cod_original_formula_sum        'Fe1 O12 P3 Sn1 Sr1'
_cod_database_code               1532813
The structure and phase transitions of magnesium iodate crystals
Liang Jingkui; Yu Yu-De; Ding Shiling; Wu Li Hsueh Pao (= Acta Physica Sinica) 27 (1978) 710–722; doi:

data_1532814
_publ_section_title
;
 The structure and phase transitions of magnesium iodate crystals
;
_journal_name_full               'Wu Li Hsueh Pao (= Acta Physica Sinica)'
_journal_page_first              710
_journal_page_last               722
_journal_volume                  27
_journal_year                    1978
_chemical_formula_sum            'I2 Mg O6'
_chemical_name_systematic        'Mg (I O3)2'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.4777
_cell_length_b                   5.4777
_cell_length_c                   5.1282
_cell_volume                     133.258
_citation_journal_id_ASTM        WLHPAR
_cod_data_source_file            LiangJingkui_WLHPAR_1978_170.cif
_cod_data_source_block           I2Mg1O6
_cod_original_cell_volume        133.2576
_cod_original_formula_sum        'I2 Mg1 O6'
_cod_database_code               1532814
Effects of Sr substitution for Ba on the crystal structure, oxygen content and electrical properties of Nd (Ba1-x Srx)2 Cu3 O7-d
Wuernisha, T.; Takahashi, Y.; Takano, Y.; Takase, K.; Sekizawa, K.; Journal of Alloys Compd. 377 (2004) 216–220; doi:

data_1532815
_publ_section_title
;
 Effects of Sr substitution for Ba on the crystal structure, oxygen
 content and electrical properties of Nd (Ba1-x Srx)2 Cu3 O7-d
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              216
_journal_page_last               220
_journal_volume                  377
_journal_year                    2004
_chemical_formula_sum            'Ba1.6 Cu3 Nd O6.94 Sr0.4'
_chemical_name_systematic        'Nd Ba1.6 Sr0.4 (Cu3 O6.94)'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8656
_cell_length_b                   3.8954
_cell_length_c                   11.719
_cell_volume                     176.465
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Wuernisha_JALCEU_2004_1538.cif
_cod_data_source_block           Ba1.6Cu3Nd1O6.94Sr0.4
_cod_original_cell_volume        176.4654
_cod_original_formula_sum        'Ba1.6 Cu3 Nd1 O6.94 Sr0.4'
_cod_database_code               1532815
Intergrown niobian rutile phases with Sc- and W-rich ferrocolumbite: an electron-microprobe and Rietveld study
Okrusch, M.; Theisinger, H.; Hock, R.; Schuessler, U.; Brummer, A.; Baier, M.; American Mineralogist 88 (2003) 986–995; doi:

data_1532816
_publ_section_title
;
 Intergrown niobian rutile phases with Sc- and W-rich ferrocolumbite: an
 electron-microprobe and Rietveld study
;
_journal_name_full               'American Mineralogist'
_journal_page_first              986
_journal_page_last               995
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Nb0.288 O2 Ti0.712'
_chemical_name_systematic        '(Ti0.712 Nb0.288) O2'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.6392
_cell_length_b                   4.6392
_cell_length_c                   2.9902
_cell_volume                     64.356
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Okrusch_AMMIAY_2003_44.cif
_cod_data_source_block           Nb0.288O2Ti0.712
_cod_original_cell_volume        64.35562
_cod_database_code               1532816
Synthesis, structure, magnetic properties and XANES spectra of reduced niobate Rb Nax Ca2 Nb3 O10
Byeon Song-Ho; Kim Hee Jin; Kim Dong-Kuk; Hur Nam Hwi; Chemistry of Materials (1,1989-) 15 (2003) 383–389; doi:

data_4002551
_publ_section_title
;
 Synthesis, structure, magnetic properties and XANES spectra of reduced
 niobate Rb Nax Ca2 Nb3 O10
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              383
_journal_page_last               389
_journal_volume                  15
_journal_year                    2003
_chemical_formula_sum            'Ca2 Na Nb3 O10'
_chemical_name_systematic        'Na Ca2 (Nb3 O10)'
_space_group_IT_number           138
_symmetry_space_group_name_Hall  '-P 4ac 2ac'
_symmetry_space_group_name_H-M   'P 42/n c m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4731
_cell_length_b                   5.4731
_cell_length_c                   29.0138
_cell_volume                     869.103
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            ByeonSong-Ho_CMATEX_2003_323.cif
_cod_data_source_block           Ca2Na1Nb3O10
_cod_original_cell_volume        869.1033
_cod_original_formula_sum        'Ca2 Na1 Nb3 O10'
_cod_database_code               4002551
Washing soda (natron), Na2 C O3 * 10(H2 O) revised: crystal structures at low and ambient temperatures
Libowitzky, E.; Giester, G.; Mineralogy and Petrology 77 (2003) 177–195; doi:

data_1532817
_publ_section_title
;
 Washing soda (natron), Na2 C O3 * 10(H2 O) revised: crystal structures at
 low and ambient temperatures
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              177
_journal_page_last               195
_journal_volume                  77
_journal_year                    2003
_chemical_formula_sum            'C H20 Na2 O13'
_chemical_name_systematic        'Na2 (C O3) (H2 O)10'
_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                 115.97
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.74
_cell_length_b                   8.816
_cell_length_c                   12.571
_cell_volume                     1269.351
_citation_journal_id_ASTM        MIPEE9
_cod_data_source_file            Libowitzky_MIPEE9_2003_507.cif
_cod_data_source_block           C1H20Na2O13
_cod_original_formula_sum        'C1 H20 Na2 O13'
_cod_database_code               1532817