LMucko/crystallography-open-database huggingface dataset:
(NH4)2(VO)(VP)O7, a layered structure comprising tetrahedral VPO7 groups _cod_database_code 1001731
Boudin, S.; Grandin, A.; Labbe, P.; Raveau, B.; Acta Crystallographica, Section C 52 (1996) 2668–2670; doi:10.1107/S0108270196007883

data_9014296
_publ_section_title
;
 (NH4)2(VO)(VP)O7, a layered structure comprising tetrahedral VPO7 groups
 _cod_database_code 1001731
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2668
_journal_page_last               2670
_journal_paper_doi               10.1107/S0108270196007883
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'N2 O8 P1.02 V1.98'
_space_group_IT_number           100
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.6233
_cell_length_b                   8.6233
_cell_length_c                   5.6384
_cell_formula_units_Z            2
_cell_volume                     419.279
_database_code_amcsd             0010309
_exptl_crystal_density_diffrn    2.285
_cod_duplicate_entry             1001731
_cod_original_formula_sum        'P1.02 V1.98 O8 N2'
_cod_database_code               9014296
_amcsd_formula_title             (NH4)2(VO)(VP)O7
Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo
Yamazaki, S.; Toraya, H.; Journal of Applied Crystallography 32 (1999) 51–59; doi:10.1107/S0021889898010206

data_9014297
_publ_section_title
;
 Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4
 using a new weight function in least-squares fitting
 Note: e = eo
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              51
_journal_page_last               59
_journal_paper_doi               10.1107/S0021889898010206
_journal_volume                  32
_journal_year                    1999
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg2 O4 Si'
_chemical_name_mineral           Forsterite
_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_length_a                   10.20141
_cell_length_b                   5.98348
_cell_length_c                   4.75534
_cell_formula_units_Z            4
_cell_volume                     290.266
_database_code_amcsd             0019685
_exptl_crystal_density_diffrn    3.219
_cod_original_formula_sum        'Mg2 Si O4'
_cod_database_code               9014297
Crystal structure of gagarinite from precision X-ray data: Structural changes in the NaCaTRF6-Na1.5TR1.5F6 series
Frank-Kamenetskaya, O. V.; Fundamenskii, V. S.; Tsytsenko, A. K.; Frank-Kamenetskii, V. A.; Crystallography Reports 39 (1994) 923–928; doi:

data_9014298
_publ_section_title
;
 Crystal structure of gagarinite from precision X-ray data:
 Structural changes in the NaCaTRF6-Na1.5TR1.5F6 series
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              923
_journal_page_last               928
_journal_volume                  39
_journal_year                    1994
_chemical_compound_source
'ultra-alkaline rare-metal feldspar pegmatites from eastern Siberia'
_chemical_formula_sum            'Ca0.498 Eu0.299 F3 Na0.558 Y0.198'
_chemical_name_mineral           Gagarinite-(Eu)
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.0403
_cell_length_b                   6.0403
_cell_length_c                   3.5899
_cell_formula_units_Z            2
_cell_volume                     113.431
_database_code_amcsd             0012345
_exptl_crystal_density_diffrn    4.474
_cod_depositor_comments
;
Fixed '_atom_site_aniso_U_*' values marked as '*******' by consulting the 
original paper. Conversions from aniso B to aniso U were done by dividing 
by 8p. Also, added '_space_group_symop_id' to '_space_group_symop' loop.

Antanas Vaitkus, 2015-02-17
;
_cod_original_formula_sum        'Na.558 Ca.498 Eu.299 Y.198 F3'
_cod_database_code               9014298
Spin-Glass Behavior in Sr2 Fe Ru O6 and Ba La Ni Ru O6: A Comparison with Antiferromagnetic Ba La Zn Ru O6 _cod_database_code 1001401
Battle, P.; Gibb, T.; Jones, C.; Studer, F.; Journal of Solid State Chemistry 78 (1989) 281–293; doi:10.1016/0022-4596(89)90109-6

data_9014299
_publ_section_title
;
 Spin-Glass Behavior in Sr2 Fe Ru O6 and Ba La Ni Ru O6: A
 Comparison with Antiferromagnetic Ba La Zn Ru O6
 _cod_database_code 1001401
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              281
_journal_page_last               293
_journal_paper_doi               10.1016/0022-4596(89)90109-6
_journal_volume                  78
_journal_year                    1989
_chemical_formula_sum            'Ba0.5 La0.5 Ni0.5 O3 Ru0.5'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.16
_cell_angle_gamma                90
_cell_length_a                   5.6093
_cell_length_b                   5.6154
_cell_length_c                   7.9571
_cell_formula_units_Z            4
_cell_volume                     250.635
_database_code_amcsd             0013642
_exptl_crystal_density_diffrn    7.049
_cod_duplicate_entry             1001401
_cod_original_formula_sum        '(Ba.5 La.5) (Ni.5 Ru.5) O3'
_cod_database_code               9014299
_amcsd_formula_title             'Ba La Ni O6 Ru'
The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate _cod_database_code 1010087
Pauling, L.; Journal of the American Chemical Society 46 (1924) 2738–2751; doi:10.1021/ja01677a019

data_9014300
_publ_section_title
;
 The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and
 Oxyfluomolybdate
 _cod_database_code 1010087
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2738
_journal_page_last               2751
_journal_paper_doi               10.1021/ja01677a019
_journal_volume                  46
_journal_year                    1924
_chemical_formula_sum            'F3 Mo N3 O3'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.1
_cell_length_b                   9.1
_cell_length_c                   9.1
_cell_formula_units_Z            4
_cell_volume                     753.571
_database_code_amcsd             0017021
_exptl_crystal_density_diffrn    2.141
_cod_duplicate_entry             1010087
_cod_original_formula_sum        'N3 Mo (O3 F3)'
_cod_database_code               9014300
_amcsd_formula_title             'F3 H12 Mo N3 O3'
New structural features of the high-pressure synthetic sheet-disilicate Phase-X, K(2-x)Mg2Si2O7Hx
Welch, M. D.; Konzett, J.; Bindi, L.; Kohn, S. C.; Frost, D. J.; American Mineralogist 97 (2012) 1849–1857; doi:10.2138/am.2012.4164

data_9014301
_publ_section_title
;
 New structural features of the high-pressure synthetic
 sheet-disilicate Phase-X, K(2-x)Mg2Si2O7Hx
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1849
_journal_page_last               1857
_journal_paper_doi               10.2138/am.2012.4164
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H0.5 K1.5 Mg2 O7 Si2'
_chemical_name_mineral           Phase-X
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.0646
_cell_length_b                   5.0646
_cell_length_c                   13.2379
_cell_formula_units_Z            2
_cell_volume                     294.063
_database_code_amcsd             0019573
_exptl_crystal_density_diffrn    3.116
_cod_original_formula_sum        'K1.5 H.5 Mg2 Si2 O7'
_cod_database_code               9014301
Proprietes magnetiques de la phase Sr1.50 La0.50 Mn O4 _cod_database_code 1008249
Bouloux, J.; Soubeyroux, J.; Daoudi, A.; le Flem, G.; Materials Research Bulletin 16 (1981) 855–860; doi:10.1016/0025-5408(81)90160-4

data_9014302
_publ_section_title
;
 Proprietes magnetiques de la phase Sr1.50 La0.50 Mn O4
 _cod_database_code 1008249
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              855
_journal_page_last               860
_journal_paper_doi               10.1016/0025-5408(81)90160-4
_journal_volume                  16
_journal_year                    1981
_chemical_formula_sum            'La0.25 Mn0.5 O2 Sr0.75'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.852
_cell_length_b                   3.852
_cell_length_c                   12.39
_cell_formula_units_Z            4
_cell_volume                     183.842
_database_code_amcsd             0016171
_exptl_crystal_density_diffrn    5.777
_cod_duplicate_entry             1008249
_cod_original_formula_sum        '(Sr.75 La.25) Mn.5 O2'
_cod_database_code               9014302
_amcsd_formula_title             'La0.5 Mn O4 Sr1.5'
Chemical preparation, structural investigation, and thermal behavior of a new cyclohexaphosphate: Zn2Cs2P6O18.8H2O _cod_database_code 1008658
Abid, S.; Rzaigui, M.; Averbuch-Pouchot M; Journal of Solid State Chemistry 110 (1994) 180–184; doi:10.1006/jssc.1994.1154

data_9014303
_publ_section_title
;
 Chemical preparation, structural investigation, and thermal behavior of
 a new cyclohexaphosphate: Zn2Cs2P6O18.8H2O
 _cod_database_code 1008658
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              180
_journal_page_last               184
_journal_paper_doi               10.1006/jssc.1994.1154
_journal_volume                  110
_journal_year                    1994
_chemical_formula_sum            'Cs O13 P3 Zn'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.33
_cell_angle_gamma                90
_cell_length_a                   11.896
_cell_length_b                   12.663
_cell_length_c                   8.079
_cell_formula_units_Z            4
_cell_volume                     1213.539
_database_code_amcsd             0016546
_exptl_crystal_density_diffrn    2.732
_cod_duplicate_entry             1008658
_cod_original_formula_sum        'Cs Zn P3 O13'
_cod_database_code               9014303
_amcsd_formula_title             'Cs2 H16 O26 P6 Zn2'
Redetermination and crystallographic analysis of the structure of Sb-containing laffittite AgHg(As,Sb)S3 from Chauvai (Kyrgyzstan)
Pervukhina, N. V.; Borisov, S. V.; Magarill, S. A.; Vasil'ev, V. I.; Kuratieva, N. V.; Journal of Structural Chemistry 51 (2010) 683–688; doi:10.1007/s10947-010-0100-5

data_9014305
_publ_section_title
;
 Redetermination and crystallographic analysis of the structure of
 Sb-containing laffittite AgHg(As,Sb)S3 from Chauvai (Kyrgyzstan)
;
_journal_name_full               'Journal of Structural Chemistry'
_journal_page_first              683
_journal_page_last               688
_journal_paper_doi               10.1007/s10947-010-0100-5
_journal_volume                  51
_journal_year                    2010
_chemical_compound_source        'Chauvai deposit, Kyrgyzstan'
_chemical_formula_sum            'Ag As0.929 Hg S3 Sb0.071'
_chemical_name_mineral           Laffittite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'A -2ya'
_symmetry_space_group_name_H-M   'A 1 a 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.233
_cell_angle_gamma                90
_cell_length_a                   7.7560
_cell_length_b                   11.3340
_cell_length_c                   6.6650
_cell_formula_units_Z            4
_cell_volume                     529.992
_database_code_amcsd             0017799
_exptl_crystal_density_diffrn    6.052
_cod_original_formula_sum        'Ag Hg (As.929 Sb.071) S3'
_cod_database_code               9014305
Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2
Furuseth, S.; Selte, K.; Kjekshus, A.; Acta Chemica Scandinavica 19 (1965) 735–741; doi:10.3891/acta.chem.scand.19-0735

data_9014306
_publ_section_title
;
 Redetermined crystal structures of PdAs2, PdSb2,
 PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              735
_journal_page_last               741
_journal_paper_doi               10.3891/acta.chem.scand.19-0735
_journal_volume                  19
_journal_year                    1965
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Au Sb2'
_chemical_name_mineral           Aurostibite
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.6583
_cell_length_b                   6.6583
_cell_length_c                   6.6583
_cell_formula_units_Z            4
_cell_volume                     295.182
_database_code_amcsd             0017789
_exptl_crystal_density_diffrn    9.911
_cod_original_sg_symbol_H-M      'P a 3'
_cod_database_code               9014306
The Green Salt of Magnus, and Some Related Compounds _cod_database_code 1010208
Vox, E.; Pinkard, F.; Wardlaw, W.; Preston, G.; Journal of the Chemical Society 1932 (1932) 2527–2534; doi:

data_9014307
_publ_section_title
;
 The Green Salt of Magnus, and Some Related Compounds
 _cod_database_code 1010208
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              2527
_journal_page_last               2534
_journal_volume                  1932
_journal_year                    1932
_chemical_formula_sum            'Cl2 N2 Pt'
_space_group_IT_number           75
_symmetry_space_group_name_Hall  'P 4'
_symmetry_space_group_name_H-M   'P 4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.29
_cell_length_b                   6.29
_cell_length_c                   6.42
_cell_formula_units_Z            2
_cell_volume                     254.002
_database_code_amcsd             0017144
_exptl_crystal_density_diffrn    3.844
_cod_duplicate_entry             1010208
_cod_original_formula_sum        'Pt Cl2 N2'
_cod_database_code               9014307
_amcsd_formula_title             'Cl4 H12 N4 Pt2'
The Al6O18 rings of tetrahedra in the structure of Ca8.5NaAl6O18
Nishi, F.; Takeuchi, Y.; Acta Crystallographica, Section B 31 (1975) 1169–1173; doi:10.1107/S0567740875004736

data_9014308
_publ_section_title
;
 The Al6O18 rings of tetrahedra in the structure of Ca8.5NaAl6O18
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1169
_journal_page_last               1173
_journal_paper_doi               10.1107/S0567740875004736
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Al6 Ca8.5 Na O18'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.875
_cell_length_b                   10.859
_cell_length_c                   15.105
_cell_formula_units_Z            4
_cell_volume                     1783.774
_database_code_amcsd             0017813
_exptl_crystal_density_diffrn    3.029
_cod_original_formula_sum        'Ca8.5 Na Al6 O18'
_cod_database_code               9014308
_amcsd_formula_title             Ca8.5NaAl6O18
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q0, untreated
Zema, M.; Tarantino, S. C.; Giorgiani, A.; Mineralogical Magazine 70 (2006) 319–328; doi:10.1180/0026461067030335

data_9014309
_publ_section_title
;
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim9_q0, untreated
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              319
_journal_page_last               328
_journal_paper_doi               10.1180/0026461067030335
_journal_volume                  70
_journal_year                    2006
_chemical_compound_source        'Kimito, Finland'
_chemical_formula_sum            'Fe1.001 Nb0.13 O6 Ta1.869'
_chemical_name_mineral           Tapiolite-(Fe)
_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_length_a                   4.7531
_cell_length_b                   4.7531
_cell_length_c                   9.2873
_cell_formula_units_Z            2
_cell_volume                     209.818
_database_code_amcsd             0018703
_exptl_crystal_density_diffrn    7.949
_cod_original_formula_sum        'Fe1.001 Ta1.869 Nb.13 O6'
_cod_database_code               9014309
Structure cristalline de l'orthophosphate monoacide de cuivre monohydrate Cu (H P O4) (H2 O) _cod_database_code 1008247
Boudjada, A.; Materials Research Bulletin 15 (1980) 1083–1090; doi:10.1016/0025-5408(80)90070-7

data_9014310
_publ_section_title
;
 Structure cristalline de l'orthophosphate monoacide de cuivre
 monohydrate Cu (H P O4) (H2 O)
 _cod_database_code 1008247
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1083
_journal_page_last               1090
_journal_paper_doi               10.1016/0025-5408(80)90070-7
_journal_volume                  15
_journal_year                    1980
_chemical_formula_sum            'Cu O5 P'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.16
_cell_angle_gamma                90
_cell_length_a                   8.606
_cell_length_b                   6.346
_cell_length_c                   6.811
_cell_formula_units_Z            4
_cell_volume                     370.994
_database_code_amcsd             0016169
_exptl_crystal_density_diffrn    3.124
_cod_duplicate_entry             1008247
_cod_original_formula_sum        'Cu P O5'
_cod_database_code               9014310
_amcsd_formula_title             'Cu H3 O5 P'
Crystal structures and physical properties of some new ternary compounds U2 T3X (T= Ru, Os; X= Si, Ge)
Vernière, A.; Lejay, P.; Bordet, P.; Chenavas, J.; Brison, J. P.; Haen, P.; Boucherle, J. X.; Journal of Alloys and Compounds 209 (1994) 251–255; doi:10.1016/0925-8388(94)91108-8

data_9014311
_publ_section_title
;
Crystal structures and physical properties of some new ternary
compounds U2 T3X (T= Ru, Os; X= Si, Ge)
;
_journal_coden_ASTM              JALCEU
_journal_issue                   1-2
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              251
_journal_page_last               255
_journal_paper_doi               10.1016/0925-8388(94)91108-8
_journal_volume                  209
_journal_year                    1994
_chemical_formula_sum            'Os1.66 Si0.34 U'
_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                   7.436
_cell_length_b                   7.436
_cell_length_c                   7.436
_cell_formula_units_Z            8
_cell_volume                     411.167
_database_code_amcsd             0016559
_exptl_crystal_density_diffrn    18.200
_cod_duplicate_entry             1008673
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'U (Os1.66 Si.34)'
_cod_database_code               9014311
_amcsd_formula_title             'Os3.32 Si0.68 U2'
Lead-tellurium oxysalts from Otto Mountain near Baker, California: III. Thorneite, Pb6(Te6+2O10)(CO3)Cl2(H2O), the first mineral with edge-sharing octahedral tellurate dimers
Kampf, A. R.; Housley, R. M.; Marty, J.; American Mineralogist 95 (2010) 1548–1553; doi:10.2138/am.2010.3512

data_9014312
_publ_section_title
;
 Lead-tellurium oxysalts from Otto Mountain near Baker, California: III.
 Thorneite, Pb6(Te6+2O10)(CO3)Cl2(H2O), the first mineral with
 edge-sharing octahedral tellurate dimers
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1548
_journal_page_last               1553
_journal_paper_doi               10.2138/am.2010.3512
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Otto Mountain, Baker, California'
_chemical_formula_sum            'C H2.5 Cl1.5 O14.5 Pb6 Te2'
_chemical_name_mineral           Thorneite
_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                 101.112
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.305
_cell_length_b                   11.059
_cell_length_c                   7.564
_cell_volume                     1748.758
_database_code_amcsd             0017719
_exptl_crystal_density_diffrn    6.830
_cod_original_formula_sum        'Pb6 Te2 C Cl1.5 O14.5 H2.5'
_cod_database_code               9014312
The Crystal Structures of Some Natural and Synthetic Apatite-Like Substances _cod_database_code 1011242
Hendricks, S.; Jefferson, M.; Mosley, V.; Zeitschrift fur Kristallographie 81 (1932) 352–369; doi:

data_9014313
_publ_section_title
;
 The Crystal Structures of Some Natural and Synthetic Apatite-Like
 Substances
 _cod_database_code 1011242
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              352
_journal_page_last               369
_journal_volume                  81
_journal_year                    1932
_chemical_formula_sum            'Ca5 O13 P3'
_chemical_name_mineral           Hydroxylapatite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.40
_cell_length_b                   9.40
_cell_length_c                   6.93
_cell_formula_units_Z            2
_cell_volume                     530.297
_database_code_amcsd             0018108
_exptl_crystal_density_diffrn    3.139
_cod_duplicate_entry             1011242
_cod_original_formula_sum        'Ca5 P3 O13'
_cod_database_code               9014313