LMucko/crystallography-open-database huggingface dataset:
Zur Kristallchemie Magnesium-reicher Turmaline
Schmetzer, K.; Nuber, B.; Abraham, K.; Neues Jahrbuch fur Mineralogie, Abhandlungen 136 (1979) 93–112; doi:

data_9014576
_publ_section_title
;
 Zur Kristallchemie Magnesium-reicher Turmaline
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              93
_journal_page_last               112
_journal_volume                  136
_journal_year                    1979
_chemical_compound_source        'Landanai, Tanzania'
_chemical_formula_sum
'Al5.7 B3 Ca0.64 F0.46 H3.32 K0.02 Mg3.24 Na0.34 O30.54 Si6 V0.06'
_chemical_name_mineral           Uvite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   15.967
_cell_length_b                   15.967
_cell_length_c                   7.213
_cell_volume                     1592.551
_database_code_amcsd             0019010
_exptl_crystal_density_diffrn    3.039
_cod_original_cell_volume        1592.550
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'(Ca.64 Na.34 K.02) Mg3.24 Al5.7 V.06 Si6 B3 O30.54 F.46 H3.32'
_cod_database_code               9014576
An X-ray examination of substituted Edingtonites. _cod_database_code 1011059
Taylor, W.; Mineralogical Magazine 24 (1935) 208–240; doi:10.1180/minmag.1935.024.151.03

data_9014577
_publ_section_title
;
 An X-ray examination of substituted Edingtonites.
 _cod_database_code 1011059
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              208
_journal_page_last               240
_journal_paper_doi               10.1180/minmag.1935.024.151.03
_journal_volume                  24
_journal_year                    1935
_chemical_formula_sum            'Al2 O10 Si3 Tl2'
_chemical_name_mineral           Edingtonite-(Tl)
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.
_cell_length_b                   10.
_cell_length_c                   6.65
_cell_formula_units_Z            2
_cell_volume                     665.000
_database_code_amcsd             0017959
_exptl_crystal_density_diffrn    3.531
_cod_duplicate_entry             1011059
_cod_original_formula_sum        'Tl2 (Si3 Al2) O10'
_cod_database_code               9014577
Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K
Sandor, E.; Farrow, R. F. C.; Nature 213 (1967) 171–172; doi:10.1038/213171a0

data_9014578
_publ_section_title
;
 Crystal structure of solid hydrogen chloride and deuterium chloride
 Note T = 118.5 K
;
_journal_name_full               Nature
_journal_page_first              171
_journal_page_last               172
_journal_paper_doi               10.1038/213171a0
_journal_volume                  213
_journal_year                    1967
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl H'
_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                   5.482
_cell_length_b                   5.482
_cell_length_c                   5.482
_cell_formula_units_Z            4
_cell_volume                     164.747
_database_code_amcsd             0018513
_exptl_crystal_density_diffrn    1.470
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'H Cl'
_cod_database_code               9014578
_amcsd_formula_title             HCl
Crystal structure of holtite I
Kazantsev, S. S.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S.; Zubkova, N. V.; Kabalov, Y. K.; Voloshin, A. V.; Crystallography Reports 50 (2005) 42–47; doi:10.1134/1.1857243

data_9014579
_publ_section_title
;
 Crystal structure of holtite I
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              42
_journal_page_last               47
_journal_paper_doi               10.1134/1.1857243
_journal_volume                  50
_journal_year                    2005
_chemical_compound_source        'Voroni Tundry deposit, Kola Peninsula, Russia'
_chemical_formula_sum
'Al6.454 As0.21 B H O17.64 Sb0.36 Si2.43 Ta0.258'
_chemical_name_mineral           Holtite
_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                   4.695
_cell_length_b                   11.906
_cell_length_c                   20.38
_cell_volume                     1139.215
_database_code_amcsd             0019739
_exptl_crystal_density_diffrn    3.747
_cod_original_formula_sum        'Al6.454 Ta.258 Si2.43 As.21 Sb.36 B O17.64 H'
_cod_database_code               9014579
A refinement of the crystal structure of copper(II) oxide, with a discussion of some exceptional E.s.d.'s
Asbrink, S.; Norrby, L. J.; Acta Crystallographica, Section B 26 (1970) 8–15; doi:10.1107/S0567740870001838

data_9014580
_publ_section_title
;
 A refinement of the crystal structure of copper(II) oxide,
 with a discussion of some exceptional E.s.d.'s
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              8
_journal_page_last               15
_journal_paper_doi               10.1107/S0567740870001838
_journal_volume                  26
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu O'
_chemical_name_mineral           Tenorite
_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                 99.54
_cell_angle_gamma                90
_cell_length_a                   4.6837
_cell_length_b                   3.4226
_cell_length_c                   5.1288
_cell_formula_units_Z            4
_cell_volume                     81.080
_database_code_amcsd             0018812
_exptl_crystal_density_diffrn    6.516
_cod_database_code               9014580
Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 200 K
Knight, K. S.; Henderson, C. M. B.; European Journal of Mineralogy 19 (2007) 189–200; doi:10.1127/0935-1221/2007/0019-1711

data_9014581
_publ_section_title
;
 Structural basis for the anomalous low-temperature thermal expansion
 behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
 Sample: T = 200 K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              189
_journal_page_last               200
_journal_paper_doi               10.1127/0935-1221/2007/0019-1711
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Ba0.5 Cu O10 Si4 Sr0.5'
_chemical_name_mineral           Effenbergerite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.39447
_cell_length_b                   7.39447
_cell_length_c                   15.8534
_cell_formula_units_Z            4
_cell_volume                     866.835
_database_code_amcsd             0007204
_exptl_crystal_density_diffrn    3.436
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        '(Ba.5 Sr.5) Cu Si4 O10'
_cod_database_code               9014581
Kristallstrukturelle Untersuchungen an Borazit Note: this is the high-temperature modification _cod_database_code 1011284
Mehmel, M.; Fortschritte der Mineralogie 17 (1932) 436–438; doi:

data_9014582
_publ_section_title
;
 Kristallstrukturelle Untersuchungen an Borazit
 Note: this is the high-temperature modification
 _cod_database_code 1011284
;
_journal_name_full               'Fortschritte der Mineralogie'
_journal_page_first              436
_journal_page_last               438
_journal_volume                  17
_journal_year                    1932
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B7 Cl Mg3 O13'
_chemical_name_mineral           Boracite
_space_group_IT_number           219
_symmetry_space_group_name_Hall  'F -4a 2 3'
_symmetry_space_group_name_H-M   'F -4 3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.1
_cell_length_b                   12.1
_cell_length_c                   12.1
_cell_formula_units_Z            8
_cell_volume                     1771.561
_database_code_amcsd             0018134
_exptl_crystal_density_diffrn    2.940
_cod_original_formula_sum        'Mg3 B7 O13 Cl'
_cod_database_code               9014582
_cod_duplicate_entry 1011284
Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls2h1, heated in air at 700 C for 10 h
Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E.; American Mineralogist 97 (2012) 1402–1416; doi:10.2138/am.2012.4028

data_9014583
_publ_section_title
;
 Limitations of Fe2+ and Mn2+ site occupancy in tourmaline:
 Evidence from Fe2+ - and Mn2+ -rich tourmaline
 Note: sample bls2h1, heated in air at 700 C for 10 h
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1402
_journal_page_last               1416
_journal_paper_doi               10.2138/am.2012.4028
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Blocherleitengraben, Lower Austria'
_chemical_formula_sum            'Al5.466 B3 Ca0.03 Fe3.534 Na0.97 O31 Si6'
_chemical_name_mineral           Fluor-schorl
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.917
_cell_length_b                   15.917
_cell_length_c                   7.2520
_cell_formula_units_Z            3
_cell_volume                     1591.149
_database_code_amcsd             0019251
_exptl_crystal_density_diffrn    3.335
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        '(Na.97 Ca.03) (Fe3.534 Al5.466) Si6 B3 O31'
_cod_database_code               9014583
The crystal structure of perloffite
Elliott, P.; Willis, A. C.; Mineralogical Magazine 75 (2011) 317–325; doi:10.1180/minmag.2011.075.2.317

data_9014584
_publ_section_title
;
 The crystal structure of perloffite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              317
_journal_page_last               325
_journal_paper_doi               10.1180/minmag.2011.075.2.317
_journal_volume                  75
_journal_year                    2011
_chemical_compound_source
'Spring Creek copper mine, near Wilmington, South Australia'
_chemical_formula_sum
'Al0.06 Ba0.97 Ca0.04 Fe2.7 H3 Mg0.04 Mn1.14 Na0.02 O15 P3 Sr0.03'
_chemical_name_mineral           Perloffite
_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                 100.19
_cell_angle_gamma                90
_cell_length_a                   9.2425
_cell_length_b                   12.470
_cell_length_c                   5.002
_cell_formula_units_Z            2
_cell_volume                     567.407
_database_code_amcsd             0019599
_exptl_crystal_density_diffrn    4.038
_cod_original_formula_sum
'(Ba.97 Sr.03) Mn1.14 Fe2.7 Ca.04 Mg.04 Na.02 Al.06 P3 O15 H3'
_cod_database_code               9014584
Uranyl phosphate sheet reconstruction during dehydration of metatorbernite [Cu(UO2)2(PO4)2*8H2O] Note: This is the 8.3 Angstrom phase while heating at 129 C
Stubbs, J. E.; Post, J. E.; Elbert, D. C.; Heaney, P. J.; Veblen, D. R.; American Mineralogist 95 (2010) 1132–1140; doi:10.2138/am.2010.3439

data_9014585
_publ_section_title
;
 Uranyl phosphate sheet reconstruction during dehydration of
 metatorbernite [Cu(UO2)2(PO4)2*8H2O]
 Note: This is the 8.3 Angstrom phase while heating at 129 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1132
_journal_page_last               1140
_journal_paper_doi               10.2138/am.2010.3439
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Bois Noirs, France'
_chemical_formula_sum            'Cu0.881 H12.248 O18.124 P2 U2'
_chemical_name_mineral           Metatorbernite
_space_group_IT_number           85
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.95510
_cell_length_b                   6.95510
_cell_length_c                   16.6604
_cell_volume                     805.920
_database_code_amcsd             0016812
_exptl_crystal_density_diffrn    3.694
_cod_original_sg_symbol_H-M      'P 4/n'
_cod_original_formula_sum        'Cu.881 U2 P2 O18.124 H12.248'
_cod_database_code               9014585
A series of Mixed-valent Molybdenum Monophosphates, Isotypic with Leucophosphite Represented by CsMo2P2O10 and K1.5Mo2P2O10.H2O _cod_database_code 1001554
Guesdon, A.; Borel, M.; Leclaire, A.; Grandin, A.; Raveau, B.; Zeitschrift fur Anorganische und Allgemeine Chemie 619 (1993) 1841–1849; doi:

data_9014586
_publ_section_title
;
 A series of Mixed-valent Molybdenum Monophosphates, Isotypic with
 Leucophosphite Represented by CsMo2P2O10 and
 K1.5Mo2P2O10.H2O
 _cod_database_code 1001554
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              1841
_journal_page_last               1849
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'K3 Mo4 O22 P4'
_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                 128.73
_cell_angle_gamma                90
_cell_length_a                   9.721
_cell_length_b                   9.805
_cell_length_c                   12.329
_cell_formula_units_Z            2
_cell_volume                     916.723
_database_code_amcsd             0015802
_exptl_crystal_density_diffrn    3.539
_cod_original_formula_sum        'Mo4 K3 P4 O22'
_cod_database_code               9014586
_amcsd_formula_title             'H2 K1.5 Mo2 O11 P2'
The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 7.41 GPa the Baia Mare metallogenic area, Romania
Periotto, B.; Balic-Zunic T; Nestola, F.; The Canadian Mineralogist 50 (2012) 201–218; doi:10.3749/canmin.50.2.201

data_9014587
_publ_section_title
;
 The role of the Sb3+ lone-electron pairs and Fe2+ coordination in
 the high-pressure behavior of berthierite
 Note: P = 7.41 GPa
 the Baia Mare metallogenic area, Romania
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              201
_journal_page_last               218
_journal_paper_doi               10.3749/canmin.50.2.201
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source        'hydro-thermal vein-type deposit of Herja in'
_chemical_formula_sum            'Fe S4 Sb2'
_chemical_name_mineral           Berthierite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.9015
_cell_length_b                   13.3136
_cell_length_c                   3.6900
_cell_formula_units_Z            4
_cell_volume                     535.560
_database_code_amcsd             0019211
_exptl_crystal_density_diffrn    5.303
_cod_original_formula_sum        'Fe Sb2 S4'
_cod_database_code               9014587
Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl50
Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B.; American Mineralogist 97 (2012) 1834–1840; doi:10.2138/am.2012.4139

data_9014588
_publ_section_title
;
 Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
 Cation ordering over short-range and long-range scales
 Sample: CoAl50
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1834
_journal_page_last               1840
_journal_paper_doi               10.2138/am.2012.4139
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Co0.63 Mg0.37 O4'
_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                   8.0957
_cell_length_b                   8.0957
_cell_length_c                   8.0957
_cell_formula_units_Z            8
_cell_volume                     530.595
_database_code_amcsd             0019581
_exptl_crystal_density_diffrn    4.108
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Co.63 Mg.37 Al2) O4'
_cod_database_code               9014588
_amcsd_formula_title             (Co.63Mg.37)Al2O4
A Study on the Structure of Cementite
Shimura, Shigetaka; Proceedings of the Imperial Academy (Tokyo) 6 (1930) 269–271; doi:10.2183/pjab1912.6.269

data_9014589
_publ_section_title
;
 A Study on the Structure of Cementite
;
_journal_coden_ASTM              PIATA8
_journal_issue                   7
_journal_name_full               'Proceedings of the Imperial Academy (Tokyo)'
_journal_page_first              269
_journal_page_last               271
_journal_paper_doi               10.2183/pjab1912.6.269
_journal_volume                  6
_journal_year                    1930
_chemical_compound_source        synthetic
_chemical_formula_structural     'Fe3 C'
_chemical_formula_sum            'C Fe3'
_chemical_name_mineral           Cohenite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n (z,x,y+1/4)'
_symmetry_space_group_name_H-M   'P n m a (c,a-1/4,b)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.511
_cell_length_b                   5.047
_cell_length_c                   6.738
_cell_volume                     153.404
_database_code_amcsd             0017653
_exptl_crystal_density_diffrn    7.775
_cod_duplicate_entry             1010931
_cod_original_sg_symbol_Hall     '-P 2c 2ab'
_cod_original_sg_symbol_H-M      'P b n m'
_cod_original_formula_sum        'Fe2 C'
_cod_database_code               9014589
The Crystal Structure of ammonium, potassium and rubidium cupric chloride dihydrates _cod_database_code 1011065
Hendricks, S.; Dickinson, R.; Journal of the American Chemical Society 49 (1927) 2149–2162; doi:10.1021/ja01408a005

data_9014590
_publ_section_title
;
 The Crystal Structure of ammonium, potassium and rubidium cupric
 chloride dihydrates
 _cod_database_code 1011065
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2149
_journal_page_last               2162
_journal_paper_doi               10.1021/ja01408a005
_journal_volume                  49
_journal_year                    1927
_chemical_formula_sum            'Cl4 Cu K2 O2'
_chemical_name_mineral           Mitscherlichite
_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                   7.45
_cell_length_b                   7.45
_cell_length_c                   7.88
_cell_formula_units_Z            2
_cell_volume                     437.360
_database_code_amcsd             0017964
_exptl_crystal_density_diffrn    2.396
_cod_duplicate_entry             1011065
_cod_original_formula_sum        'Cu K2 Cl4 O2'
_cod_database_code               9014590
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 8.36 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_9014591
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 8.36 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                   3.583
_cell_length_b                   3.583
_cell_length_c                   3.583
_cell_formula_units_Z            4
_cell_volume                     45.998
_database_code_amcsd             0019407
_exptl_crystal_density_diffrn    8.064
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9014591
Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study
Rinaldi, R.; Gatta, G. D.; Angel, R. J.; American Mineralogist 95 (2010) 1413–1421; doi:10.2138/am.2010.3536

data_9014592
_publ_section_title
;
 Crystal chemistry and low-temperature behavior of datolite:
 a single-crystal X-ray diffraction study
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1413
_journal_page_last               1421
_journal_paper_doi               10.2138/am.2010.3536
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Arendal, Norway'
_chemical_formula_sum            'B Ca H O5 Si'
_chemical_name_mineral           Datolite
_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                 90.158
_cell_angle_gamma                90
_cell_length_a                   4.8356
_cell_length_b                   7.6114
_cell_length_c                   9.6341
_cell_formula_units_Z            4
_cell_volume                     354.588
_database_code_amcsd             0017704
_exptl_crystal_density_diffrn    2.997
_cod_original_formula_sum        'Ca B Si O5 H'
_cod_database_code               9014592