LMucko/crystallography-open-database huggingface dataset:
Crystal structures of two new types of cyclo-tetraphosphates: tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and calcium disodium cyclo-tetraphosphate 5.5-hydrate _cod_database_code 1007179
Averbuch-Pouchot M; Durif, A.; Acta Crystallographica, Section C 44 (1988) 212–216; doi:10.1107/S0108270187010175

data_9015740
_publ_section_title
;
 Crystal structures of two new types of cyclo-tetraphosphates:
 tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and
 calcium disodium cyclo-tetraphosphate 5.5-hydrate
 _cod_database_code 1007179
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              212
_journal_page_last               216
_journal_paper_doi               10.1107/S0108270187010175
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'Ca2 Na4 O35 P8'
_space_group_IT_number           28
_symmetry_space_group_name_Hall  'P 2 -2a'
_symmetry_space_group_name_H-M   'P m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   27.88
_cell_length_b                   7.536
_cell_length_c                   7.378
_cell_formula_units_Z            2
_cell_volume                     1550.145
_database_code_amcsd             0010062
_exptl_crystal_density_diffrn    2.099
_cod_duplicate_entry             1007179
_cod_original_formula_sum        'Ca2 P8 Na4 O35'
_cod_database_code               9015740
_amcsd_formula_title             'Ca H11 Na2 O17.5 P4'
Structure and alloy chemistry of metastable Ge Sb _cod_database_code 1008962
Senateur, J.; Rouault, A.; Fruchart, R.; Journal of Solid State Chemistry 5 (1972) 226–228; doi:10.1016/0022-4596(72)90032-1

data_9015741
_publ_section_title
;
 Structure and alloy chemistry of metastable Ge Sb
 _cod_database_code 1008962
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              226
_journal_page_last               228
_journal_paper_doi               10.1016/0022-4596(72)90032-1
_journal_volume                  5
_journal_year                    1972
_chemical_formula_sum            'Co4 Mn4 Sb4'
_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                   11.746
_cell_length_b                   11.746
_cell_length_c                   11.746
_cell_formula_units_Z            8
_cell_volume                     1620.578
_database_code_amcsd             0016827
_exptl_crystal_density_diffrn    7.726
_cod_duplicate_entry             1008962
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Sb4 Mn4 Co4'
_cod_database_code               9015741
_amcsd_formula_title             'Co Mn Sb'
Ab-initio powder structure determination of CaBa~2~(HPO~4~)~2~(H~2~PO~4~)~2~: a new phosphate with a M(TΦ~4~)~4~ chain structure
Toumi, M.; Chabchoub, S.; Smiri-Dogguy, L.; Laligant, Y.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 1249–1257; doi:

data_9015742
_publ_section_title
;
 Ab-initio powder structure determination of CaBa~2~(HPO~4~)~2~(H~2~PO~4~)~2~:
 a new phosphate with a M(T\F~4~)~4~ chain structure
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              1249
_journal_page_last               1257
_journal_volume                  34
_journal_year                    1997
_chemical_formula_structural     'Ca Ba2 (H P O4)2 (H2 P O4)2'
_chemical_formula_sum            'Ba2 Ca H6 O16 P4'
_chemical_name_systematic
;
Calcium dibarium bis(hydrogenphosphate(V)) bis(dihydrogenphosphate(V))
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.767(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.3872(2)
_cell_length_b                   10.2046(1)
_cell_length_c                   5.4946(1)
_cell_volume                     682.3
_database_code_amcsd             0012618
_exptl_crystal_density_diffrn    3.381
_refine_ls_R_factor_all          0.04
_cod_duplicate_entry             1000440
_cod_original_formula_sum        'Ba2 Ca P4 O16'
_cod_database_code               9015742
_amcsd_formula_title             CaBa2(HPO4)2(H2PO4)2
Structure of magnesium hydroxide sulfate (2(Mg S O4) . (Mg (O H)2)) and solid solution in magnesium hydroxide sulfate hydrate and caminite
Fleet, M. E.; Knipe, S. W.; Acta Crystallographica, Section B 53 (1997) 358–363; doi:10.1107/S0108768197000104

data_9015743
_publ_section_title
;
 Structure of magnesium hydroxide sulfate (2(Mg S O4) . (Mg (O H)2)) and
 solid solution in magnesium hydroxide sulfate hydrate and caminite
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              358
_journal_page_last               363
_journal_paper_doi               10.1107/S0108768197000104
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Mg3 O10 S2'
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.454
_cell_length_b                   7.454
_cell_length_c                   12.885
_cell_formula_units_Z            4
_cell_volume                     715.918
_database_code_amcsd             0018265
_exptl_crystal_density_diffrn    2.756
_cod_duplicate_entry             1100099
_cod_original_formula_sum        'Mg3 S2 O10'
_cod_database_code               9015743
_amcsd_formula_title             'H2 Mg3 O10 S2'
Complex-anion Formation by Tervalent Elements: The Structure of Caesium Thallic Enneachloride _cod_database_code 1010209
Powell, H.; Wells, A.; Journal of the Chemical Society 1935 (1935) 1008–1012; doi:

data_9015744
_publ_section_title
;
 Complex-anion Formation by Tervalent Elements: The Structure of Caesium
 Thallic Enneachloride
 _cod_database_code 1010209
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              1008
_journal_page_last               1012
_journal_volume                  1935
_journal_year                    1935
_chemical_formula_sum            'Cl6 Cs3 Tl'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                83.93
_cell_angle_beta                 83.93
_cell_angle_gamma                83.93
_cell_length_a                   9.58
_cell_length_b                   9.58
_cell_length_c                   9.58
_cell_formula_units_Z            4
_cell_volume                     865.402
_database_code_amcsd             0017145
_exptl_crystal_density_diffrn    6.262
_cod_duplicate_entry             1010209
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Cs3 Cl6 Tl'
_cod_database_code               9015744
_amcsd_formula_title             'Cl9 Cs3 Tl2'
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3 _cod_database_code 1010594
Zachariasen, W.; Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1 (1928) 1–165; doi:

data_9015745
_publ_section_title
;
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
 Verbindungen ABO3
 _cod_database_code 1010594
;
_journal_name_full
'Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo'
_journal_page_first              1
_journal_page_last               165
_journal_volume                  1
_journal_year                    1928
_chemical_formula_sum            'O3 Yb2'
_space_group_IT_number           199
_symmetry_space_group_name_Hall  'I 2b 2c 3'
_symmetry_space_group_name_H-M   'I 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.39
_cell_length_b                   10.39
_cell_length_c                   10.39
_cell_formula_units_Z            16
_cell_volume                     1121.622
_database_code_amcsd             0017475
_exptl_crystal_density_diffrn    9.335
_cod_duplicate_entry             1010594
_cod_original_formula_sum        'Yb2 O3'
_cod_database_code               9015745
_amcsd_formula_title             'O3 Yb2'
Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K determined by time-of-flight neutron powder diffraction Note: T = 460 K
Wood, I. G.; Vocadlo, L.; Knight, K. S.; Dobson, D. P.; Marshall, W. G.; Price, G. D.; Brodholt, J.; Journal of Applied Crystallography 37 (2004) 82–90; doi:10.1107/S0021889803024695

data_9015746
_publ_section_title
;
 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
 determined by time-of-flight neutron powder diffraction
 Note: T = 460 K
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              82
_journal_page_last               90
_journal_paper_doi               10.1107/S0021889803024695
_journal_volume                  37
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Fe3'
_chemical_name_mineral           Cohenite
_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                   5.077
_cell_length_b                   6.764
_cell_length_c                   4.518
_cell_measurement_temperature    460
_cell_volume                     155.152
_database_code_amcsd             0019121
_diffrn_ambient_temperature      460
_exptl_crystal_density_diffrn    7.687
_cod_duplicate_entry             2300084
_cod_depositor_comments
;
 Adding the _cell_measurement_temperature and _diffrn_ambient_temperature
 data items after consulting the original publication.

 Antanas Vaitkus,
 2017-08-17

 Adding the _cell_formula_units_Z data item after consulting the original
 publication.

 Antanas Vaitkus,
 2017-08-17
;
_cod_original_formula_sum        'Fe3 C'
_cod_database_code               9015746
Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure with double-strand chains T = 220 C
Mills, S. J.; Kolitsch, U.; Miyawaki, R.; Hatert, F.; Poirier, G.; Kampf, A. R.; Matsubara, S.; Tillmanns, E.; European Journal of Mineralogy 22 (2010) 595–604; doi:10.1127/0935-1221/2010/0022-2048

data_9015747
_publ_section_title
;
 Pb3Fe3+2(PO4)4(H2O), a new octahedral-tetrahedral framework structure
 with double-strand chains
 T = 220 C
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              595
_journal_page_last               604
_journal_paper_doi               10.1127/0935-1221/2010/0022-2048
_journal_volume                  22
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 H2 O17 P4 Pb3'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.0440
_cell_length_b                   9.0440
_cell_length_c                   16.766
_cell_volume                     1371.357
_database_code_amcsd             0017730
_exptl_crystal_density_diffrn    5.479
_cod_original_formula_sum        'Pb3 Fe2 P4 O17 H2'
_cod_database_code               9015747
_amcsd_formula_title             Pb3Fe2(PO4)4(H2O)
Contribution to the Crystal Chemistry of Tetrametaphosphates(II) _cod_database_code 1007157
Averbuch-Pouchot M; Durif, A.; Journal of Solid State Chemistry 60 (1985) 13–19; doi:10.1016/0022-4596(85)90158-6

data_9015748
_publ_section_title
;
 Contribution to the Crystal Chemistry of Tetrametaphosphates(II)
 _cod_database_code 1007157
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              13
_journal_page_last               19
_journal_paper_doi               10.1016/0022-4596(85)90158-6
_journal_volume                  60
_journal_year                    1985
_chemical_formula_sum            'Cs Na3 O16 P4'
_space_group_IT_number           44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.50
_cell_length_b                   7.804
_cell_length_c                   7.006
_cell_formula_units_Z            2
_cell_volume                     792.785
_database_code_amcsd             0013561
_exptl_crystal_density_diffrn    2.437
_cod_duplicate_entry             1007157
_cod_original_formula_sum        'Cs P4 Na3 O16'
_cod_database_code               9015748
_amcsd_formula_title             'Cs H8 Na3 O16 P4'
Etude des phases du systeme Fe V O4 - V O2, obtenues par synthese hydrothermale a 70 kbar et 1273k _cod_database_code 1008070
Muller, J.; Joubert, J.; Marezio, M.; Journal of Solid State Chemistry 18 (1976) 357–362; doi:10.1016/0022-4596(76)90118-3

data_9015749
_publ_section_title
;
 Etude des phases du systeme Fe V O4 - V O2, obtenues par synthese
 hydrothermale a 70 kbar et 1273k
 _cod_database_code 1008070
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              357
_journal_page_last               362
_journal_paper_doi               10.1016/0022-4596(76)90118-3
_journal_volume                  18
_journal_year                    1976
_chemical_formula_sum            'Fe0.375 O2 V0.625'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.49
_cell_length_b                   5.55
_cell_length_c                   4.88
_cell_formula_units_Z            4
_cell_volume                     121.607
_database_code_amcsd             0016012
_exptl_crystal_density_diffrn    4.631
_cod_duplicate_entry             1008070
_cod_original_formula_sum        '(V.625 Fe.375) O2'
_cod_database_code               9015749
_amcsd_formula_title             'Fe0.75 O4 V1.25'
New Zn-rich representative of the labuntsovite group: crystal structure and microtwinning Note: x-coordinate of O15 was changed
Rozenberg, K. A.; Rastsvetaeva, R. K.; Pekov, I. V.; Chukanov, N. V.; Doklady Chemistry 383 (2002) 110–113; doi:10.1023/A:1015456306621

data_9015750
_publ_section_title
;
 New Zn-rich representative of the labuntsovite group:
 crystal structure and microtwinning
 Note: x-coordinate of O15 was changed
;
_journal_name_full               'Doklady Chemistry'
_journal_page_first              110
_journal_page_last               113
_journal_paper_doi               10.1023/A:1015456306621
_journal_volume                  383
_journal_year                    2002
_chemical_compound_source
'Lovozero alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum
'Ba0.1 Ca Fe0.05 H12.11 K0.5 Mn0.05 Na1.6 Nb1.2 O32.87 Si8 Sr1.4 Ti2.8 Zn0.9'
_chemical_name_mineral           Alsakharovite-Zn
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.59
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.491
_cell_length_b                   13.911
_cell_length_c                   7.822
_cell_volume                     1397.487
_database_code_amcsd             0018493
_exptl_crystal_density_diffrn    3.103
_cod_original_formula_sum
'(Ti2.8 Nb1.2) Si8 (Zn.9 Fe.05 Mn.05) Na1.6 Ca Sr1.4 K.5 O32.87 H12.11 Ba.1'
_cod_database_code               9015750
Structural studies of Laves phases Zr (Cr1-x Nix)2 with 0 < x < 0.4 and their hydrides _cod_database_code 1008801
Bououdina, M.; Soubeyroux, J.; Fruchart, D.; de Rango, P.; Journal of Alloys and Compounds 257 (1997) 82–90; doi:

data_9015751
_publ_section_title
;
 Structural studies of Laves phases Zr (Cr1-x Nix)2 with 0 < x < 0.4 and
 their hydrides
 _cod_database_code 1008801
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              82
_journal_page_last               90
_journal_volume                  257
_journal_year                    1997
_chemical_formula_sum            'Cr2.488 D6.6 Ni1.512 Zr2'
_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_length_a                   5.343
_cell_length_b                   5.343
_cell_length_c                   8.750
_cell_formula_units_Z            2
_cell_volume                     216.326
_database_code_amcsd             0016673
_exptl_crystal_density_diffrn    6.353
_cod_duplicate_entry             1008801
_cod_original_formula_sum        'Zr2 (Cr2.488 Ni1.512) D6.6'
_cod_database_code               9015751
_amcsd_formula_title             'Cr1.244 D3.3 Ni0.756 Zr'
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 19.70 GPa, T = 1273 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9015752
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 19.70 GPa, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.509
_cell_length_b                   3.509
_cell_length_c                   3.509
_cell_formula_units_Z            4
_cell_volume                     43.207
_database_code_amcsd             0019438
_exptl_crystal_density_diffrn    8.585
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015752
Structure of arrojadite, KNa4CaMn4Fe10Al(PO4)12(OH,F)2
Merlino, S.; Mellini, M.; Zanazzi, P. F.; Acta Crystallographica, Section B 37 (1981) 1733–1736; doi:10.1107/S0567740881007012

data_9015753
_publ_section_title
;
 Structure of arrojadite, KNa4CaMn4Fe10Al(PO4)12(OH,F)2
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1733
_journal_page_last               1736
_journal_paper_doi               10.1107/S0567740881007012
_journal_volume                  37
_journal_year                    1981
_chemical_compound_source
'Nickel Plate mine, Keystone, South Dakota, USA'
_chemical_formula_sum
'Al Ca Fe9.38 H2 K0.75 Li0.12 Mg0.5 Mn4 Na4.11 O50 P12'
_chemical_name_mineral           Arrojadite-(KFe)
_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                 105.78
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.526
_cell_length_b                   10.057
_cell_length_c                   24.730
_cell_volume                     3955.275
_database_code_amcsd             0009747
_exptl_crystal_density_diffrn    3.562
_cod_original_cell_volume        3955.274
_cod_original_formula_sum
'Ca Na4.11 K.75 Li.12 Mg.5 Fe9.38 Mn4 Al P12 O50 H2'
_cod_database_code               9015753
Bronzes with a Tunnel Structure Kx P4 O8 (W O3)2m: The Tenth Member of the Series - K P8 W40 O136 _cod_database_code 1001845
Labbe, P.; Ouachee, D.; Goreaud, M.; Raveau, B.; Journal of Solid State Chemistry 50 (1983) 163–172; doi:10.1016/0022-4596(83)90184-6

data_9015754
_publ_section_title
;
 Bronzes with a Tunnel Structure Kx P4 O8 (W O3)2m: The Tenth Member of
 the Series - K P8 W40 O136
 _cod_database_code 1001845
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              163
_journal_page_last               172
_journal_paper_doi               10.1016/0022-4596(83)90184-6
_journal_volume                  50
_journal_year                    1983
_chemical_formula_sum            'K0.25 O33.5 P2 W10'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.864
_cell_angle_gamma                90
_cell_length_a                   19.58899
_cell_length_b                   3.7681
_cell_length_c                   16.96999
_cell_formula_units_Z            2
_cell_volume                     1251.948
_database_code_amcsd             0013513
_exptl_crystal_density_diffrn    6.489
_cod_duplicate_entry             1001845
_cod_original_formula_sum        'W10 K.25 P2 O33.5'
_cod_database_code               9015754
_amcsd_formula_title             'K O67 P4 W20'
Rusinovite, Ca10(Si2O7)3Cl2: a new skarn mineral from the Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia
Galuskin, E. V.; Galuskina, I. O.; Lazic, B.; Armbruster, T.; Zadov, A. E.; Krzykawski, T.; Banasik, K.; Gazeev, V. M.; Pertsev, N. N.; European Journal of Mineralogy 23 (2011) 837–844; doi:10.1127/0935-1221/2011/0023-2160

data_9015755
_publ_section_title
;
 Rusinovite, Ca10(Si2O7)3Cl2: a new skarn mineral from the Upper Chegem caldera,
 Kabardino-Balkaria, Northern Caucasus, Russia
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              837
_journal_page_last               844
_journal_paper_doi               10.1127/0935-1221/2011/0023-2160
_journal_volume                  23
_journal_year                    2011
_chemical_compound_source
'Upper Chegem caldera, Kabardino-Balkaria, Northern Caucasus, Russia'
_chemical_formula_sum            'Ca5 Cl O10.5 Si3'
_chemical_name_mineral           Rusinovite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.7617
_cell_length_b                   16.9385
_cell_length_c                   17.3196
_cell_formula_units_Z            4
_cell_volume                     1103.563
_database_code_amcsd             0018806
_exptl_crystal_density_diffrn    2.938
_cod_original_cell_volume        1103.562
_cod_original_formula_sum        'Ca5 Si3 O10.5 Cl'
_cod_database_code               9015755