LMucko/crystallography-open-database huggingface dataset:
Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: hd/6
Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.; European Journal of Mineralogy 12 (2000) 105–120; doi:

data_9005430
_publ_section_title
;
 Synthesis and structural properties of clinopyroxenes of the
 hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
 Sample: hd/6
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              105
_journal_page_last               120
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ca0.94 Fe Na0.06 O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 104.805
_cell_angle_gamma                90
_cell_length_a                   9.8475
_cell_length_b                   9.0277
_cell_length_c                   5.2495
_cell_formula_units_Z            4
_cell_volume                     451.189
_database_code_amcsd             0006815
_exptl_crystal_density_diffrn    3.637
_cod_original_formula_sum        '(Na.06 Ca.94) Fe Si2 O6'
_cod_database_code               9005430
Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: hd/10
Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.; European Journal of Mineralogy 12 (2000) 105–120; doi:

data_9005431
_publ_section_title
;
 Synthesis and structural properties of clinopyroxenes of the
 hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
 Sample: hd/10
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              105
_journal_page_last               120
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ca0.9 Fe Na0.1 O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 104.789
_cell_angle_gamma                90
_cell_length_a                   9.8472
_cell_length_b                   9.0288
_cell_length_c                   5.2466
_cell_formula_units_Z            4
_cell_volume                     451.014
_database_code_amcsd             0006816
_exptl_crystal_density_diffrn    3.629
_cod_original_formula_sum        '(Na.1 Ca.9) Fe Si2 O6'
_cod_database_code               9005431
Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: ae25/20
Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.; European Journal of Mineralogy 12 (2000) 105–120; doi:

data_9005432
_publ_section_title
;
 Synthesis and structural properties of clinopyroxenes of the
 hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
 Sample: ae25/20
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              105
_journal_page_last               120
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ca0.75 Fe Na0.25 O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 105.523
_cell_angle_gamma                90
_cell_length_a                   9.7951
_cell_length_b                   8.9698
_cell_length_c                   5.2634
_cell_formula_units_Z            4
_cell_volume                     445.574
_database_code_amcsd             0006817
_exptl_crystal_density_diffrn    3.635
_cod_original_formula_sum        '(Na.25 Ca.75) Fe Si2 O6'
_cod_database_code               9005432
Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: ae40/20
Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.; European Journal of Mineralogy 12 (2000) 105–120; doi:

data_9005433
_publ_section_title
;
 Synthesis and structural properties of clinopyroxenes of the
 hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
 Sample: ae40/20
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              105
_journal_page_last               120
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ca0.6 Fe Na0.4 O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 106.041
_cell_angle_gamma                90
_cell_length_a                   9.7598
_cell_length_b                   8.9277
_cell_length_c                   5.2748
_cell_formula_units_Z            4
_cell_volume                     441.712
_database_code_amcsd             0006818
_exptl_crystal_density_diffrn    3.628
_cod_original_formula_sum        '(Na.4 Ca.6) Fe Si2 O6'
_cod_database_code               9005433
Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: ae50/20
Redhammer G J; Amthauer G; Lottermoser W; Treutmann W; European Journal of Mineralogy 12 (2000) 105–120; doi:

data_9005434
_publ_section_title
;
 Synthesis and structural properties of clinopyroxenes of the
 hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
 Sample: ae50/20
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              105
_journal_page_last               120
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ca0.5 Fe Na0.5 O6 Si2'
_chemical_name_mineral           Clinopyroxene
_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                 106.225
_cell_angle_gamma                90
_cell_length_a                   9.7441
_cell_length_b                   8.9103
_cell_length_c                   5.2791
_cell_formula_units_Z            4
_cell_volume                     440.091
_cod_original_formula_sum        '(Na.5 Ca.5) Fe Si2 O6'
_cod_database_code               9005434
_database_code_amcsd 0006819
Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: ae60/1
Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.; European Journal of Mineralogy 12 (2000) 105–120; doi:

data_9005435
_publ_section_title
;
 Synthesis and structural properties of clinopyroxenes of the
 hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
 Sample: ae60/1
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              105
_journal_page_last               120
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ca0.4 Fe Na0.6 O6 Si2'
_chemical_name_mineral           Aegirine
_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                 106.598
_cell_angle_gamma                90
_cell_length_a                   9.7189
_cell_length_b                   8.8818
_cell_length_c                   5.2835
_cell_formula_units_Z            4
_cell_volume                     437.075
_database_code_amcsd             0006821
_exptl_crystal_density_diffrn    3.614
_cod_original_formula_sum        '(Na.6 Ca.4) Fe Si2 O6'
_cod_database_code               9005435
Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: ae75/20
Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.; European Journal of Mineralogy 12 (2000) 105–120; doi:

data_9005436
_publ_section_title
;
 Synthesis and structural properties of clinopyroxenes of the
 hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
 Sample: ae75/20
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              105
_journal_page_last               120
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ca0.25 Fe Na0.75 O6 Si2'
_chemical_name_mineral           Aegirine
_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                 106.765
_cell_angle_gamma                90
_cell_length_a                   9.6977
_cell_length_b                   8.8519
_cell_length_c                   5.2861
_cell_formula_units_Z            4
_cell_volume                     434.488
_database_code_amcsd             0006822
_exptl_crystal_density_diffrn    3.597
_cod_original_formula_sum        '(Na.75 Ca.25) Fe Si2 O6'
_cod_database_code               9005436
Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: ae90/13
Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.; European Journal of Mineralogy 12 (2000) 105–120; doi:

data_9005437
_publ_section_title
;
 Synthesis and structural properties of clinopyroxenes of the
 hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
 Sample: ae90/13
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              105
_journal_page_last               120
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ca0.1 Fe Na0.9 O6 Si2'
_chemical_name_mineral           Aegirine
_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                 107.166
_cell_angle_gamma                90
_cell_length_a                   9.6714
_cell_length_b                   8.8152
_cell_length_c                   5.2926
_cell_formula_units_Z            4
_cell_volume                     431.122
_database_code_amcsd             0006823
_exptl_crystal_density_diffrn    3.585
_cod_original_formula_sum        '(Na.9 Ca.1) Fe Si2 O6'
_cod_database_code               9005437
Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: ae100/12
Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.; European Journal of Mineralogy 12 (2000) 105–120; doi:

data_9005438
_publ_section_title
;
 Synthesis and structural properties of clinopyroxenes of the
 hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
 Sample: ae100/12
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              105
_journal_page_last               120
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Fe Na O6 Si2'
_chemical_name_mineral           Aegirine
_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                 107.394
_cell_angle_gamma                90
_cell_length_a                   9.6549
_cell_length_b                   8.7947
_cell_length_c                   5.2938
_cell_formula_units_Z            4
_cell_volume                     428.952
_database_code_amcsd             0006824
_exptl_crystal_density_diffrn    3.577
_cod_original_formula_sum        'Na Fe Si2 O6'
_cod_database_code               9005438
Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: ae100/F3d
Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.; European Journal of Mineralogy 12 (2000) 105–120; doi:

data_9005439
_publ_section_title
;
 Synthesis and structural properties of clinopyroxenes of the
 hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series
 Sample: ae100/F3d
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              105
_journal_page_last               120
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Fe Na O6 Si2'
_chemical_name_mineral           Aegirine
_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                 107.316
_cell_angle_gamma                90
_cell_length_a                   9.6543
_cell_length_b                   8.8070
_cell_length_c                   5.2943
_cell_formula_units_Z            4
_cell_volume                     429.748
_database_code_amcsd             0006825
_exptl_crystal_density_diffrn    3.570
_cod_original_formula_sum        'Na Fe Si2 O6'
_cod_database_code               9005439
Crystal growth and cation distribution in doped dicalcium ferrite Ca2(Fe1-xMex)2O5 (Me=Al,Ga) Sample: Me = Al
Kahlenberg, V.; Fischer, R. X.; European Journal of Mineralogy 12 (2000) 129–135; doi:

data_9005440
_publ_section_title
;
 Crystal growth and cation distribution in doped dicalcium ferrite
 Ca2(Fe1-xMex)2O5 (Me=Al,Ga)
 Sample: Me = Al
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              129
_journal_page_last               135
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Al0.135 Ca2 Fe1.865 O5'
_chemical_name_mineral           Srebrodolskite
_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                   5.420
_cell_length_b                   14.743
_cell_length_c                   5.597
_cell_formula_units_Z            4
_cell_volume                     447.240
_database_code_amcsd             0006826
_exptl_crystal_density_diffrn    3.979
_cod_original_formula_sum        'Fe1.865 Al.135 Ca2 O5'
_cod_database_code               9005440
Crystal growth and cation distribution in doped dicalcium ferrite Ca2(Fe1-xMex)2O5 (Me=Al,Ga) Sample: Me = Ga
Kahlenberg, V.; Fischer, R. X.; European Journal of Mineralogy 12 (2000) 129–135; doi:

data_9005441
_publ_section_title
;
 Crystal growth and cation distribution in doped dicalcium ferrite
 Ca2(Fe1-xMex)2O5 (Me=Al,Ga)
 Sample: Me = Ga
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              129
_journal_page_last               135
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ca2 Fe1.445 Ga0.555 O5'
_chemical_name_mineral           Srebrodolskite
_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                   5.420
_cell_length_b                   14.721
_cell_length_c                   5.599
_cell_formula_units_Z            4
_cell_volume                     446.732
_database_code_amcsd             0006827
_exptl_crystal_density_diffrn    4.156
_cod_original_formula_sum        '(Fe1.445 Ga.555) Ca2 O5'
_cod_database_code               9005441
Synthetic and natural Fe-Mg chloritoid: structural, spectroscopic and thermodynamic studies Sample: MKM-97-4
Koch-Muller M; Abs-Wurmbach I; Langer, K.; Shaw, C.; Wirth, R.; Gottschalk, M.; European Journal of Mineralogy 12 (2000) 293–314; doi:

data_9005442
_publ_section_title
;
 Synthetic and natural Fe-Mg chloritoid: structural, spectroscopic and
 thermodynamic studies
 Sample: MKM-97-4
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              293
_journal_page_last               314
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Al3.983 Fe1.038 H4 Mg0.97 O14 Si2'
_chemical_name_mineral           Chloritoid
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                96.67
_cell_angle_beta                 101.04
_cell_angle_gamma                90.0
_cell_length_a                   9.467
_cell_length_b                   5.466
_cell_length_c                   9.140
_cell_formula_units_Z            2
_cell_volume                     460.949
_database_code_amcsd             0006828
_exptl_crystal_density_diffrn    3.409
_cod_original_formula_sum        'Al3.983 Fe1.038 Mg.97 Si2 (O14 H4)'
_cod_database_code               9005442
Synthetic and natural Fe-Mg chloritoid: structural, spectroscopic and thermodynamic studies Sample: RO2
Koch-Muller M; Abs-Wurmbach I; Langer, K.; Shaw, C.; Wirth, R.; Gottschalk, M.; European Journal of Mineralogy 12 (2000) 293–314; doi:

data_9005443
_publ_section_title
;
 Synthetic and natural Fe-Mg chloritoid: structural, spectroscopic and
 thermodynamic studies
 Sample: RO2
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              293
_journal_page_last               314
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Al3.985 Fe0.875 H4 Mg1.12 O14 Si2'
_chemical_name_mineral           Chloritoid
_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                 101.4
_cell_angle_gamma                90
_cell_length_a                   9.451
_cell_length_b                   5.4674
_cell_length_c                   18.159
_cell_formula_units_Z            4
_cell_volume                     919.807
_database_code_amcsd             0006829
_exptl_crystal_density_diffrn    3.378
_cod_original_formula_sum        'Al3.985 Fe.875 Mg1.12 Si2 (O14 H4)'
_cod_database_code               9005443
The real structure of clinotobermorite and tobermorite 9 A: OD character, polytypes, and structural relationships Sample: MDO2 data collected at Pisa
Merlino, S.; Bonaccorsi, E.; Armbruster, T.; European Journal of Mineralogy 12 (2000) 411–429; doi:

data_9005444
_publ_section_title
;
 The real structure of clinotobermorite and tobermorite 9 A:
 OD character, polytypes, and structural relationships
 Sample: MDO2 data collected at Pisa
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              411
_journal_page_last               429
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ca5 H10 O22 Si6'
_chemical_name_mineral           Clinotobermorite
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'C 1'
_space_group_name_H-M_alt        'C 1'
_symmetry_space_group_name_H-M   'C 1'
_cell_angle_alpha                99.18
_cell_angle_beta                 97.19
_cell_angle_gamma                90.02
_cell_formula_units_Z            2
_cell_length_a                   11.274
_cell_length_b                   7.344
_cell_length_c                   11.468
_cell_volume                     929.775
_database_code_amcsd             0006830
_exptl_crystal_density_diffrn    2.611
_cod_original_formula_sum        'Ca5 Si6 O22 H10'
_cod_database_code               9005444
The real structure of clinotobermorite and tobermorite 9 A: OD character, polytypes, and structural relationships Sample: MDO2 data collected at Bern
Merlino, S.; Bonaccorsi, E.; Armbruster, T.; European Journal of Mineralogy 12 (2000) 411–429; doi:

data_9005445
_publ_section_title
;
 The real structure of clinotobermorite and tobermorite 9 A:
 OD character, polytypes, and structural relationships
 Sample: MDO2 data collected at Bern
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              411
_journal_page_last               429
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ca5 H10 O22 Si6'
_chemical_name_mineral           Clinotobermorite
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'C 1'
_space_group_name_H-M_alt        'C 1'
_symmetry_space_group_name_H-M   'C 1'
_cell_angle_alpha                99.17
_cell_angle_beta                 97.19
_cell_angle_gamma                89.97
_cell_formula_units_Z            2
_cell_length_a                   11.273
_cell_length_b                   7.350
_cell_length_c                   11.498
_cell_volume                     932.930
_database_code_amcsd             0006831
_exptl_crystal_density_diffrn    2.602
_cod_original_formula_sum        'Ca5 Si6 O22 H10'
_cod_database_code               9005445
The real structure of clinotobermorite and tobermorite 9 A: OD character, polytypes, and structural relationships Sample: MDO1 data collected at Pisa
Merlino, S.; Bonaccorsi, E.; Armbruster, T.; European Journal of Mineralogy 12 (2000) 411–429; doi:

data_9005446
_publ_section_title
;
 The real structure of clinotobermorite and tobermorite 9 A:
 OD character, polytypes, and structural relationships
 Sample: MDO1 data collected at Pisa
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              411
_journal_page_last               429
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ca5 H10 O22 Si6'
_chemical_name_mineral           Clinotobermorite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.28
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.276
_cell_length_b                   7.343
_cell_length_c                   22.642
_cell_volume                     1859.637
_database_code_amcsd             0006832
_exptl_crystal_density_diffrn    2.611
_cod_original_formula_sum        'Ca5 Si6 O22 H10'
_cod_database_code               9005446
The real structure of clinotobermorite and tobermorite 9 A: OD character, polytypes, and structural relationships Sample: MDO2
Merlino, S.; Bonaccorsi, E.; Armbruster, T.; European Journal of Mineralogy 12 (2000) 411–429; doi:

data_9005447
_publ_section_title
;
 The real structure of clinotobermorite and tobermorite 9 A:
 OD character, polytypes, and structural relationships
 Sample: MDO2
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              411
_journal_page_last               429
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ca2.5 H O9 Si3'
_chemical_name_mineral           Tobermorite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                101.08
_cell_angle_beta                 92.83
_cell_angle_gamma                89.98
_cell_formula_units_Z            4
_cell_length_a                   11.156
_cell_length_b                   7.303
_cell_length_c                   9.566
_cell_volume                     763.870
_exptl_crystal_density_diffrn    2.865
_cod_original_formula_sum        'Ca2.5 Si3 O9 H'
_cod_database_code               9005447
_database_code_amcsd 0006833