LMucko/crystallography-open-database huggingface dataset:
Strukturverfeinerung von harnstoff mit neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1s2)-synthesen bei etwa 100 K Sample: T = 60 K
Guth, H.; Heger, G.; Klein, S.; Treutmann, W.; Scheringer, C.; Zeitschrift fur Kristallographie 153 (1980) 237–254; doi:

data_9011440
_publ_section_title
;
 Strukturverfeinerung von harnstoff mit neutronenbeugungsdaten bei
 60, 123, 293 K und X-N- und X-X (1s2)-synthesen bei etwa 100 K
 Sample: T = 60 K
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              237
_journal_page_last               254
_journal_volume                  153
_journal_year                    1980
_chemical_formula_structural     CO(NH2)2
_chemical_formula_sum            'C H4 N2 O'
_chemical_name_mineral           Urea
_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                   5.572
_cell_length_b                   5.572
_cell_length_c                   4.686
_cell_formula_units_Z            2
_cell_volume                     145.487
_diffrn_ambient_temperature      60
_exptl_crystal_density_diffrn    1.371
_cod_original_formula_sum        'C O N2 H4'
_cod_database_code               9011440
_cod_duplicate_entry 1008787
Verfeinerung der kristallstruktur eines basaltischen magnesio-hastingsites Locality: Untertiefenbach, Austria
Walitzi, E. M.; Walter, F.; Zeitschrift fur Kristallographie 156 (1981) 197–208; doi:

data_9011441
_publ_section_title
;
 Verfeinerung der kristallstruktur eines basaltischen magnesio-hastingsites
 Locality: Untertiefenbach, Austria
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              197
_journal_page_last               208
_journal_volume                  156
_journal_year                    1981
_chemical_formula_sum
'Al2.06 Ca1.9 Fe1.654 H2 K0.35 Mg3.136 Na0.73 O24 Si5.94 Ti0.315'
_chemical_name_mineral           Magnesiohastingsite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.26
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.880
_cell_length_b                   18.0120
_cell_length_c                   5.324
_cell_volume                     914.046
_exptl_crystal_density_diffrn    3.265
_cod_duplicate_entry             9008298
_cod_original_cell_volume        914.045
_cod_original_formula_sum
'Na.73 K.35 Ca1.9 Fe1.654 Mg3.136 Ti.315 (Si5.94 Al2.06) O24 H2'
_cod_database_code               9011441
X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Sample: neutron data
Abdeen, A. M.; Will, G.; Schafer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.; Zeitschrift fur Kristallographie 157 (1981) 147–166; doi:10.1524/zkri.1981.157.3-4.147

data_9011442
_publ_section_title
;
 X-ray and neutron diffraction study of alums
 II. The crystal structure of methylammonium aluminium alum
 III. The crystal structure of ammonium aluminium alum
 Sample: neutron data
;
_journal_issue                   3-4
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              147
_journal_page_last               166
_journal_paper_doi               10.1524/zkri.1981.157.3-4.147
_journal_volume                  157
_journal_year                    1981
_chemical_formula_moiety         '(NH3CH3) Al (SO4)2, 12(H2O)'
_chemical_formula_structural     CH6AlNO8S2.12H2O
_chemical_formula_sum            'C H30 Al N O20 S2'
_chemical_name_common            'methylammonium aluminium alum'
_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_formula_units_Z            4
_cell_length_a                   12.314
_cell_length_b                   12.314
_cell_length_c                   12.314
_cell_volume                     1867.228
_database_code_amcsd             0010841
_diffrn_radiation_probe          neutron
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'N H30 C Al S2 Os8 O12'
_cod_database_code               9011442
X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Sample: X-ray data
Abdeen, A. M.; Will, G.; Schaefer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.; Zeitschrift fur Kristallographie 157 (1981) 147–166; doi:10.1524/zkri.1981.157.3-4.147

data_9011443
_publ_section_title
;
 X-ray and neutron diffraction study of alums
 II. The crystal structure of methylammonium aluminium alum
 III. The crystal structure of ammonium aluminium alum
 Sample: X-ray data
;
_journal_issue                   3-4
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              147
_journal_page_last               166
_journal_paper_doi               10.1524/zkri.1981.157.3-4.147
_journal_volume                  157
_journal_year                    1981
_chemical_formula_moiety         '(NH3CH3) Al (SO4)2, 12(H2O)'
_chemical_formula_sum            'C H30 Al N O20 S2'
_chemical_name_common            'methylammonium aluminium alum'
_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_formula_units_Z            4
_cell_length_a                   12.322
_cell_length_b                   12.322
_cell_length_c                   12.322
_cell_volume                     1870.870
_database_code_amcsd             0010842
_diffrn_radiation_probe          x-ray
_cod_depositor_comments
;
 Changing the _chemical_formula_sum data item value from
 'C H24 Al N O20 S2' to 'C H30 Al N O20 S2' after consulting
 the original publication.

 Antanas Vaitkus,
 2017-01-15

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-01-15

 Changing the _chemical_formula_sum data item value from
 'C Al N O20 S2' to 'C H24 Al N O20 S2'.

 Antanas Vaitkus,
 2017-01-15
;
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'N C Al S2 Os8 (O12 H24)'
_cod_database_code               9011443
X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Locality: synthetic Sample: X-ray data
Abdeen, A. M.; Will, G.; Schaefer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A.; Zeitschrift fur Kristallographie 157 (1981) 147–166; doi:10.1524/zkri.1981.157.3-4.147

data_9011444
_publ_section_title
;
 X-ray and neutron diffraction study of alums
 II. The crystal structure of methylammonium aluminium alum
 III. The crystal structure of ammonium aluminium alum
 Locality: synthetic
 Sample: X-ray data
;
_journal_issue                   3-4
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              147
_journal_page_last               166
_journal_paper_doi               10.1524/zkri.1981.157.3-4.147
_journal_volume                  157
_journal_year                    1981
_chemical_formula_sum            'Al H28 N O20 S2'
_chemical_name_mineral           Tschermigite
_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_formula_units_Z            4
_cell_length_a                   12.242
_cell_length_b                   12.242
_cell_length_c                   12.242
_cell_volume                     1834.666
_database_code_amcsd             0010843
_diffrn_radiation_probe          x-ray
_exptl_crystal_density_diffrn    6.672
_cod_depositor_comments
;
 Changing the _chemical_formula_sum data item value from
 'Al H24 N O20 S2' to 'Al H28 N O20 S2' after consulting
 the original publication.

 Antanas Vaitkus,
 2017-01-15

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-01-15

 Changing the _chemical_formula_sum data item value from
 'Al H24 N O12 Os8 S2' to 'Al H24 N O20 S2'.

 Antanas Vaitkus,
 2017-01-15

 Changing the _atom_site_label data item values to match
 the _atom_site_aniso_label data item values after consulting
 the original publication.

 Antanas Vaitkus,
 2017-01-15

 Adding the _diffrn_radiation_probe data item.

 Antanas Vaitkus,
 2017-01-15

 Adding the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2017-01-15

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-15
;
_cod_original_cell_volume        1834.667
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'N Al S2 Os8 (O12 H24)'
_cod_database_code               9011444
Die kristallstruktur von prosperit, Ca2Zn4[H2O|(AsO4)4]
Keller, P.; Riffel, H.; Hess, H.; Zeitschrift fur Kristallographie 158 (1982) 33–42; doi:

data_9011445
_publ_section_title
;
 Die kristallstruktur von prosperit, Ca2Zn4[H2O|(AsO4)4]
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              33
_journal_page_last               42
_journal_volume                  158
_journal_year                    1982
_chemical_compound_source        'Tsumeb, Nambia'
_chemical_formula_sum            'As4 Ca2 H2 O17 Zn4'
_chemical_name_mineral           Prosperite
_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                 104.47
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.2380
_cell_length_b                   7.731
_cell_length_c                   9.765
_cell_volume                     1406.268
_database_code_amcsd             0010846
_exptl_crystal_density_diffrn    4.324
_cod_original_formula_sum        'Ca2 Zn4 As4 O17 H2'
_cod_database_code               9011445
Kristallstruktur der calcium-vanadium-bronze CaxV4+2xV5+(2-2x)O5 Note: z(Ca1) and z(O5) corrected
Kutoglu, A.; Zeitschrift fur Kristallographie 162 (1983) 263–272; doi:

data_9011446
_publ_section_title
;
 Kristallstruktur der calcium-vanadium-bronze CaxV4+2xV5+(2-2x)O5
 Note: z(Ca1) and z(O5) corrected
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              263
_journal_page_last               272
_journal_volume                  162
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca1.2 O10 V3.896'
_chemical_name_mineral           Straczekite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.87
_cell_angle_gamma                90
_cell_length_a                   11.805
_cell_length_b                   3.709
_cell_length_c                   9.270
_cell_formula_units_Z            2
_cell_volume                     397.205
_database_code_amcsd             0010852
_exptl_crystal_density_diffrn    3.399
_cod_original_cell_volume        397.206
_cod_original_formula_sum        'Ca1.2 V3.896 O10'
_cod_database_code               9011446
The crystal structure of pierrotite, Tl2(Sb,As)10S16
Engel, P.; Gostojic, M.; Nowacki, W.; Zeitschrift fur Kristallographie 165 (1983) 209–215; doi:10.1524/zkri.1983.165.1-4.209

data_9011447
_publ_section_title
;
 The crystal structure of pierrotite, Tl2(Sb,As)10S16
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              209
_journal_page_last               215
_journal_paper_doi               10.1524/zkri.1983.165.1-4.209
_journal_volume                  165
_journal_year                    1983
_chemical_compound_source        'Jas-Roux, Hutes-Alps, France'
_chemical_formula_sum            'As2 S8 Sb3 Tl'
_chemical_name_mineral           Pierrotite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   38.7460
_cell_length_b                   8.816
_cell_length_c                   7.989
_cell_formula_units_Z            8
_cell_volume                     2728.920
_database_code_amcsd             0010859
_exptl_crystal_density_diffrn    4.751
_cod_original_formula_sum        'Tl Sb3 As2 S8'
_cod_database_code               9011447
Verfeinerung der kristallstrukturen der isotypen verbindungen M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)
Effenberger, H.; Pertlik, F.; Zeitschrift fur Kristallographie 166 (1984) 129–140; doi:

data_9011448
_publ_section_title
;
 Verfeinerung der kristallstrukturen der isotypen verbindungen
 M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              129
_journal_page_last               140
_journal_volume                  166
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B2 Mg3 O6'
_chemical_name_mineral           Kotoite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2n 2n'
_symmetry_space_group_name_H-M   'P n m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.398
_cell_length_b                   8.416
_cell_length_c                   4.497
_cell_formula_units_Z            2
_cell_volume                     204.297
_database_code_amcsd             0010864
_exptl_crystal_density_diffrn    3.097
_cod_original_formula_sum        'Mg3 B2 O6'
_cod_database_code               9011448
Verfeinerung der kristallstrukturen der isotypen verbindungen M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)
Effenberger, H.; Pertlik, F.; Zeitschrift fur Kristallographie 166 (1984) 129–140; doi:

data_9011449
_publ_section_title
;
 Verfeinerung der kristallstrukturen der isotypen verbindungen
 M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              129
_journal_page_last               140
_journal_volume                  166
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B2 Mn3 O6'
_chemical_name_mineral           Jimboite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2n 2n'
_symmetry_space_group_name_H-M   'P n m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.658
_cell_length_b                   8.740
_cell_length_c                   4.646
_cell_formula_units_Z            2
_cell_volume                     229.749
_database_code_amcsd             0010865
_exptl_crystal_density_diffrn    4.083
_cod_original_formula_sum        'Mn3 B2 O6'
_cod_database_code               9011449
Verfeinerung der kristallstrukturen der isotypen verbindungen M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)
Effenberger, H.; Pertlik, F.; Zeitschrift fur Kristallographie 166 (1984) 129–140; doi:

data_9011450
_publ_section_title
;
 Verfeinerung der kristallstrukturen der isotypen verbindungen
 M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              129
_journal_page_last               140
_journal_volume                  166
_journal_year                    1984
_chemical_formula_structural     Co3(BO3)2
_chemical_formula_sum            'B2 Co3 O6'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2n 2n'
_symmetry_space_group_name_H-M   'P n m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.462
_cell_length_b                   8.436
_cell_length_c                   4.529
_cell_formula_units_Z            2
_cell_volume                     208.685
_database_code_amcsd             0010866
_exptl_crystal_density_diffrn    4.685
_cod_original_formula_sum        'Co3 B2 O6'
_cod_database_code               9011450
_amcsd_formula_title             Co3(BO3)2
Verfeinerung der kristallstrukturen der isotypen verbindungen M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)
Effenberger, H.; Pertlik, F.; Zeitschrift fur Kristallographie 166 (1984) 129–140; doi:

data_9011451
_publ_section_title
;
 Verfeinerung der kristallstrukturen der isotypen verbindungen
 M3(BO3)2 mit M=Mg, Co und Ni (strukturtyp: kotoit)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              129
_journal_page_last               140
_journal_volume                  166
_journal_year                    1984
_chemical_formula_structural     Ni3(BO3)2
_chemical_formula_sum            'B2 Ni3 O6'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2n 2n'
_symmetry_space_group_name_H-M   'P n m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.396
_cell_length_b                   8.297
_cell_length_c                   4.459
_cell_formula_units_Z            2
_cell_volume                     199.632
_database_code_amcsd             0010867
_exptl_crystal_density_diffrn    4.886
_cod_original_formula_sum        'Ni3 B2 O6'
_cod_database_code               9011451
_amcsd_formula_title             Ni3(BO3)2
Refinement of the crystal structure of wollastonite-2M (parawollastonite)
Hesse, K.-F.; Zeitschrift fur Kristallographie 168 (1984) 93–98; doi:

data_9011452
_publ_section_title
;
 Refinement of the crystal structure of wollastonite-2M (parawollastonite)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              93
_journal_page_last               98
_journal_volume                  168
_journal_year                    1984
_chemical_formula_sum            'Ca O3 Si'
_chemical_name_mineral           Wollastonite-2M
_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                 95.30
_cell_angle_gamma                90
_cell_length_a                   15.409
_cell_length_b                   7.322
_cell_length_c                   7.063
_cell_formula_units_Z            12
_cell_volume                     793.474
_database_code_amcsd             0010870
_exptl_crystal_density_diffrn    2.917
_cod_original_formula_sum        'Ca Si O3'
_cod_database_code               9011452
The superstructure of the double layer mineral wermlandite [Mg7(Al0.57,Fe3+0.43)2(OH)18]2+[(Ca0.6,Mg0.4)(SO4)2(H2O)12]2-
Rius, J.; Allmann, R.; Zeitschrift fur Kristallographie 168 (1984) 133–144; doi:

data_9011453
_publ_section_title
;
 The superstructure of the double layer mineral wermlandite
 [Mg7(Al0.57,Fe3+0.43)2(OH)18]2+[(Ca0.6,Mg0.4)(SO4)2(H2O)12]2-
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              133
_journal_page_last               144
_journal_volume                  168
_journal_year                    1984
_chemical_compound_source        'Langban, Warmland, Sweden'
_chemical_formula_sum            'Al1.14 Ca0.6 Fe0.86 H42 Mg7.4 O38 S2'
_chemical_name_mineral           Wermlandite
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.303
_cell_length_b                   9.303
_cell_length_c                   22.570
_cell_volume                     1691.641
_database_code_amcsd             0010871
_exptl_crystal_density_diffrn    1.958
_cod_original_formula_sum        'Mg7.4 (Al1.14 Fe.86) Ca.6 S2 O38 H42'
_cod_database_code               9011453
The rhombohedral structure of tricalcium silicate at 1200 C Sample: T = 1200 C Note: cannot reconcile reported structure with reported bond lengths
Nishi, F.; Takeuchi, Y.; Zeitschrift fur Kristallographie 168 (1984) 197–212; doi:10.1524/zkri.1984.168.1-4.197

data_9011454
_publ_section_title
;
 The rhombohedral structure of tricalcium silicate at 1200 C
 Sample: T = 1200 C
 Note: cannot reconcile reported structure with reported bond lengths
;
_journal_issue                   1-4
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              197
_journal_page_last               212
_journal_paper_doi               10.1524/zkri.1984.168.1-4.197
_journal_volume                  168
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca3 O4.987 Si'
_chemical_name_mineral           Hatrurite
_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                   7.135
_cell_length_b                   7.135
_cell_length_c                   25.586
_cell_formula_units_Z            9
_cell_volume                     1128.031
_database_code_amcsd             0010872
_diffrn_ambient_temperature      1473.15
_exptl_crystal_density_diffrn    3.022
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-03-29
;
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Ca3 Si O4.987'
_cod_database_code               9011454
The crystal structure of partheite
Engel, N.; Yvon, K.; Zeitschrift fur Kristallographie 169 (1984) 165–175; doi:

data_9011455
_publ_section_title
;
 The crystal structure of partheite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              165
_journal_page_last               175
_journal_volume                  169
_journal_year                    1984
_chemical_compound_source        'Taurus mountains, Southwest Turkey'
_chemical_formula_sum            'Al4 Ca2 H10 O21 Si4'
_chemical_name_mineral           Partheite
_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                 91.55
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.5550
_cell_length_b                   8.761
_cell_length_c                   9.304
_cell_volume                     1756.356
_database_code_amcsd             0010873
_exptl_crystal_density_diffrn    2.423
_cod_original_formula_sum        'Ca2 Al4 Si4 O21 H10'
_cod_database_code               9011455