LMucko/crystallography-open-database huggingface dataset:
X-ray powder diffraction study of francolite by the Rietveld method Sample: T = 1200 C Note: Reported structure does not reproduce reported formula or bondlengths
Perdikatsis, B.; Materials Science Forum  (1991) 809–814; doi:10.4028/www.scientific.net/MSF.79-82.809

data_9009981
_publ_section_title
;
 X-ray powder diffraction study of francolite by the Rietveld method
 Sample: T = 1200 C
 Note: Reported structure does not reproduce reported formula or bondlengths
;
_journal_coden_ASTM              MSFOEP
_journal_name_full               'Materials Science Forum'
_journal_page_first              809
_journal_page_last               814
_journal_paper_doi               10.4028/www.scientific.net/MSF.79-82.809
_journal_volume                  79-82
_journal_year                    1991
_chemical_compound_source        'Epirus, Greece'
_chemical_formula_sum            'Ca2.176 F0.169 O8.973 P1.488'
_chemical_name_mineral           Carbonate-fluorapatite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.3708
_cell_length_b                   9.3708
_cell_length_c                   6.8880
_cell_formula_units_Z            2
_cell_volume                     523.814
_database_code_amcsd             0014388
_diffrn_ambient_temperature      1473.15
_exptl_crystal_density_diffrn    1.776
_cod_original_formula_sum        'Ca2.176 P1.488 O8.973 F.169'
_cod_database_code               9009981
Combined synchrotron and neutron structural refinement of R-phase in Ti50.75Ni47.75Fe1.50 shape memory alloy
Sitepu, H.; Wright, J. P.; Hansen, T.; Chateigner, D.; Brokmeier, H. G.; Ritter, C.; Ohba, T.; Materials Science Forum 495 (2005) 255–260; doi:

data_9009982
_publ_section_title
;
 Combined synchrotron and neutron structural refinement of R-phase in
 Ti50.75Ni47.75Fe1.50 shape memory alloy
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              255
_journal_page_last               260
_journal_volume                  495
_journal_year                    2005
_chemical_formula_structural     Ti50.75Ni47.75Fe1.50
_chemical_formula_sum            'Ni Ti0.88'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.2579
_cell_length_b                   4.2579
_cell_length_c                   5.2149
_cell_formula_units_Z            9
_cell_volume                     81.878
_database_code_amcsd             0014390
_exptl_crystal_density_diffrn    18.403
_cod_original_formula_sum        'Ti.88 Ni'
_cod_database_code               9009982
_amcsd_formula_title             Ti50.75Ni47.75Fe1.50
Combined synchrotron and neutron structural refinement of R-phase in Ti50.75Ni47.75Fe1.50 shape memory alloy
Sitepu, H.; Wright, J. P.; Hansen, T.; Chateigner, D.; Brokmeier, H. G.; Ritter, C.; Ohba, T.; Materials Science Forum 495 (2005) 255–260; doi:

data_9009983
_publ_section_title
;
 Combined synchrotron and neutron structural refinement of R-phase in
 Ti50.75Ni47.75Fe1.50 shape memory alloy
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              255
_journal_page_last               260
_journal_volume                  495
_journal_year                    2005
_chemical_formula_structural     Ti50.75Ni47.75Fe1.50
_chemical_formula_sum            'Ni Ti0.875'
_space_group_IT_number           143
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.2579
_cell_length_b                   4.2579
_cell_length_c                   5.2149
_cell_formula_units_Z            9
_cell_volume                     81.878
_database_code_amcsd             0014391
_exptl_crystal_density_diffrn    18.359
_cod_original_formula_sum        'Ti.875 Ni'
_cod_database_code               9009983
_amcsd_formula_title             Ti50.75Ni47.75Fe1.50
Combined synchrotron and neutron structural refinement of R-phase in Ti50.75Ni47.75Fe1.50 shape memory alloy
Sitepu, H.; Wright, J. P.; Hansen, T.; Chateigner, D.; Brokmeier, H. G.; Ritter, C.; Ohba, T.; Materials Science Forum 495 (2005) 255–260; doi:

data_9009984
_publ_section_title
;
 Combined synchrotron and neutron structural refinement of R-phase in
 Ti50.75Ni47.75Fe1.50 shape memory alloy
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              255
_journal_page_last               260
_journal_volume                  495
_journal_year                    2005
_chemical_formula_structural     Ti50.75Ni47.75Fe1.50
_chemical_formula_sum            'Ni Ti0.876'
_space_group_IT_number           157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.2579
_cell_length_b                   4.2579
_cell_length_c                   5.2149
_cell_formula_units_Z            9
_cell_volume                     81.878
_database_code_amcsd             0014392
_exptl_crystal_density_diffrn    18.368
_cod_original_formula_sum        'Ti.876 Ni'
_cod_database_code               9009984
_amcsd_formula_title             Ti50.75Ni47.75Fe1.50
Rietveld refinement of chapmanite SbFe2Si2O8OH, a TO dioctahderal kaolinite-like mineral
Ballirano, P.; Maras, A.; Marchetti, F.; Merlino, S.; Perchiazzi, N.; Powder Diffraction 13 (1998) 44–49; doi:10.1017/S0885715600009751

data_9009985
_publ_section_title
;
 Rietveld refinement of chapmanite SbFe2Si2O8OH,
 a TO dioctahderal kaolinite-like mineral
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              44
_journal_page_last               49
_journal_paper_doi               10.1017/S0885715600009751
_journal_volume                  13
_journal_year                    1998
_chemical_compound_source        'Tafone mine, Tucsany, Italy'
_chemical_formula_sum            'Fe2 H O9 Sb Si2'
_chemical_name_mineral           Chapmanite
_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                 101.71
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.225
_cell_length_b                   8.997
_cell_length_c                   7.780
_cell_volume                     358.121
_database_code_amcsd             0015317
_exptl_crystal_density_diffrn    4.030
_cod_original_formula_sum        'Sb Fe2 Si2 O9 H'
_cod_database_code               9009985
Theoparacelsite, Cu3(OH)2As2O7, a new mineral: its description and crystal structure
Sarp H; Cerny R; Archives des Sciences, Geneve 54 (2001) 7–14; doi:

data_9009986
_publ_section_title
;
 Theoparacelsite, Cu3(OH)2As2O7, a new mineral:
 its description and crystal structure
;
_journal_name_full               'Archives des Sciences, Geneve'
_journal_page_first              7
_journal_page_last               14
_journal_volume                  54
_journal_year                    2001
_chemical_compound_source        'near Nice, France'
_chemical_formula_sum            'As0.667 Cu H2.752 O3'
_chemical_name_mineral           Theoparacelsite
_space_group_IT_number           51
_symmetry_space_group_name_Hall  '-P 2a 2a'
_symmetry_space_group_name_H-M   'P m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.3212
_cell_length_b                   2.9377
_cell_length_c                   4.6644
_cell_volume                     114.022
_database_code_amcsd             0012036
_exptl_crystal_density_diffrn    4.723
_cod_original_formula_sum        'Cu As.667 O3 H2.752'
_cod_database_code               9009986
Refinement of the structure of tohdite 5Al2O3*H2O
Yamaguchi, G.; Okumiya, M.; Ono, S.; Bulletin of the Chemical Society of Japan 42 (1969) 2247–2249; doi:10.1246/bcsj.42.2247

data_9009987
_publ_section_title
;
 Refinement of the structure of tohdite 5Al2O3*H2O
;
_journal_name_full               'Bulletin of the Chemical Society of Japan'
_journal_page_first              2247
_journal_page_last               2249
_journal_paper_doi               10.1246/bcsj.42.2247
_journal_volume                  42
_journal_year                    1969
_chemical_compound_source        Synthetic
_chemical_formula_structural     5[Al2O3]*H2O
_chemical_formula_sum            'Al10 H2 O16'
_chemical_name_mineral           Akdalaite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.575
_cell_length_b                   5.575
_cell_length_c                   8.761
_cell_formula_units_Z            1
_cell_volume                     235.816
_database_code_amcsd             0012146
_exptl_crystal_density_diffrn    3.703
_cod_database_code               9009987
The refinement of crystal structure of balipholite
Peng, Z.; Ma, Z.; Han, S.; Scientia Sinica B 30 (1987) 779–784; doi:

data_9009988
_publ_section_title
;
 The refinement of crystal structure of balipholite
;
_journal_name_full               'Scientia Sinica B'
_journal_page_first              779
_journal_page_last               784
_journal_volume                  30
_journal_year                    1987
_chemical_compound_source        'Hunan Province, China'
_chemical_formula_sum            'Al3 Ba F4 H4 Li Mg2 O16 Si4'
_chemical_name_mineral           Balipholite
_space_group_IT_number           68
_symmetry_space_group_name_Hall  '-C 2a 2ac'
_symmetry_space_group_name_H-M   'C c c a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.587
_cell_length_b                   20.164
_cell_length_c                   5.144
_cell_volume                     1409.293
_database_code_amcsd             0015443
_exptl_crystal_density_diffrn    3.404
_cod_original_sg_symbol_H-M      'C c c a'
_cod_original_formula_sum        'Ba Mg2 Li Al3 Si4 O16 H4 F4'
_cod_database_code               9009988
Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta Sample: large crystal, monoclinic
Alberti, A.; Cruciani, G.; Galli, E.; Merlino, S.; Millini, R.; Quartieri, S.; Vezzalini, G.; Zanardi, S.; Journal of Physical Chemistry B 106 (2002) 10277–10284; doi:10.1021/jp021222h

data_9009989
_publ_section_title
;
 Crystal structure of tetragonal and monoclinic polytypes of tschernichite,
 the natural counterpart of synthetic zeolite beta
 Sample: large crystal, monoclinic
;
_journal_name_full               'Journal of Physical Chemistry B'
_journal_page_first              10277
_journal_page_last               10284
_journal_paper_doi               10.1021/jp021222h
_journal_volume                  106
_journal_year                    2002
_chemical_compound_source
'Mt. Adamson, Northern Victoria Land, Antarctica'
_chemical_formula_sum
'Al2.165 Ca0.592 H20 K0.023 Mg0.023 Na0.09 O20.64 Si5.835'
_chemical_name_mineral           Tschernichite
_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                 114.31
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.983
_cell_length_b                   17.966
_cell_length_c                   14.625
_cell_volume                     4306.116
_database_code_amcsd             0013153
_exptl_crystal_density_diffrn    1.851
_cod_original_formula_sum
'Na.09 K.023 Mg.023 Ca.592 (Si5.835 Al2.165) O20.64 H20'
_cod_database_code               9009989
Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta Sample: small crystal, tetragonal Note: Mg position adjusted to match reported bond lengths
Alberti, A.; Cruciani, G.; Galli, E.; Merlino, S.; Millini, R.; Quartieri, S.; Vezzalini, G.; Zanardi, S.; Journal of Physical Chemistry B 106 (2002) 10277–10284; doi:10.1021/jp021222h

data_9009990
_publ_section_title
;
 Crystal structure of tetragonal and monoclinic polytypes of tschernichite,
 the natural counterpart of synthetic zeolite beta
 Sample: small crystal, tetragonal
 Note: Mg position adjusted to match reported bond lengths
;
_journal_name_full               'Journal of Physical Chemistry B'
_journal_page_first              10277
_journal_page_last               10284
_journal_paper_doi               10.1021/jp021222h
_journal_volume                  106
_journal_year                    2002
_chemical_compound_source
'Mt. Adamson, Northern Victoria Land, Antarctica'
_chemical_formula_sum
'Al2.74 Ca0.89 H30 K0.11 Mg0.08 Na0.08 O40.34 Si13.26'
_chemical_name_mineral           Tschernichite
_space_group_IT_number           91
_symmetry_space_group_name_Hall  'P 4w 2c'
_symmetry_space_group_name_H-M   'P 41 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.634
_cell_length_b                   12.634
_cell_length_c                   26.608
_cell_volume                     4247.115
_database_code_amcsd             0013154
_exptl_crystal_density_diffrn    1.823
_cod_original_cell_volume        4247.114
_cod_original_formula_sum
'Na.08 Mg.08 K.11 Ca.89 (Si13.26 Al2.74) O40.34 H30'
_cod_database_code               9009990
Phase transitions in proustite I. Structural studies Sample: T = 35 K
Allen, S.; Phase Transition 6 (1985) 1–24; doi:10.1080/01411598508219887

data_9009991
_publ_section_title
;
 Phase transitions in proustite I. Structural studies
 Sample: T = 35 K
;
_journal_name_full               'Phase Transition'
_journal_page_first              1
_journal_page_last               24
_journal_paper_doi               10.1080/01411598508219887
_journal_volume                  6
_journal_year                    1985
_chemical_formula_sum            'Ag3 As S3'
_chemical_name_mineral           Proustite
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.767
_cell_length_b                   10.767
_cell_length_c                   8.713
_cell_formula_units_Z            6
_cell_volume                     874.758
_database_code_amcsd             0014938
_diffrn_ambient_temperature      35
_exptl_crystal_density_diffrn    5.635
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_database_code               9009991
Phase transitions in proustite I. Structural studies Sample: T = 63 K
Allen, S.; Phase Transition 6 (1985) 1–24; doi:10.1080/01411598508219887

data_9009992
_publ_section_title
;
 Phase transitions in proustite I. Structural studies
 Sample: T = 63 K
;
_journal_name_full               'Phase Transition'
_journal_page_first              1
_journal_page_last               24
_journal_paper_doi               10.1080/01411598508219887
_journal_volume                  6
_journal_year                    1985
_chemical_formula_sum            'Ag3 As S3'
_chemical_name_mineral           Proustite
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.768
_cell_length_b                   10.768
_cell_length_c                   8.720
_cell_formula_units_Z            6
_cell_volume                     875.623
_database_code_amcsd             0014939
_diffrn_ambient_temperature      63
_exptl_crystal_density_diffrn    5.629
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_database_code               9009992
Phase transitions in proustite I. Structural studies Sample: T = 300 K Note: calculated Ag-S bondlengths do not match those reported
Allen, S.; Phase Transition 6 (1985) 1–24; doi:10.1080/01411598508219887

data_9009993
_publ_section_title
;
 Phase transitions in proustite I. Structural studies
 Sample: T = 300 K
 Note: calculated Ag-S bondlengths do not match those reported
;
_journal_name_full               'Phase Transition'
_journal_page_first              1
_journal_page_last               24
_journal_paper_doi               10.1080/01411598508219887
_journal_volume                  6
_journal_year                    1985
_chemical_formula_sum            'Ag3 As S3'
_chemical_name_mineral           Proustite
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.825
_cell_length_b                   10.825
_cell_length_c                   8.704
_cell_formula_units_Z            6
_cell_volume                     883.294
_database_code_amcsd             0014940
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    5.580
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_database_code               9009993
On the crystal structure of fluorides of the tysonite LaF3 type
Schlyter, K.; Arkiv for Kemi 5 (1952) 73–82; doi:

data_9009994
_publ_section_title
;
 On the crystal structure of fluorides of the tysonite LaF3 type
;
_journal_name_full               'Arkiv for Kemi'
_journal_page_first              73
_journal_page_last               82
_journal_volume                  5
_journal_year                    1952
_chemical_compound_source
'Osterby, parish of Skedevi, Dalecarlia, Sweden'
_chemical_formula_sum            'F3 La'
_chemical_name_mineral           Fluocerite-(La)
_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                   4.148
_cell_length_b                   4.148
_cell_length_c                   7.354
_cell_formula_units_Z            2
_cell_volume                     109.580
_database_code_amcsd             0012039
_exptl_crystal_density_diffrn    5.937
_cod_original_formula_sum        'La F3'
_cod_database_code               9009994
Les structures cristallines de la northupite 2MgCO32Na2CO32NaCl et de la tychite 2MgCO32Na2CO3Na2SO4
Watanabe, T.; Scientific Papers of the Institute of Physical and Chemical Research 21 (1933) 40–62; doi:

data_9009995
_publ_section_title
;
 Les structures cristallines de la northupite 2MgCO32Na2CO32NaCl
 et de la tychite 2MgCO32Na2CO3Na2SO4
;
_journal_name_full
'Scientific Papers of the Institute of Physical and Chemical Research'
_journal_page_first              40
_journal_page_last               62
_journal_volume                  21
_journal_year                    1933
_chemical_formula_sum            'C4 Mg2 Na6 O16 S'
_chemical_name_mineral           Tychite
_space_group_IT_number           203
_symmetry_space_group_name_Hall  'F 2 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.90
_cell_length_b                   13.90
_cell_length_c                   13.90
_cell_formula_units_Z            8
_cell_volume                     2685.619
_database_code_amcsd             0015445
_exptl_crystal_density_diffrn    2.585
_cod_original_sg_symbol_H-M      'F d 3'
_cod_original_formula_sum        'Mg2 C4 Na6 S O16'
_cod_database_code               9009995
The crystal structure of gerstleyite Na2(Sb,As)8S13*2H2O: the first sulfosalt mineral of sodium
Nakai, I.; Appleman, D. E.; Chemistry Letters 1981 (1981) 1327–1330; doi:

data_9009996
_publ_section_title
;
 The crystal structure of gerstleyite Na2(Sb,As)8S13*2H2O:
 the first sulfosalt mineral of sodium
;
_journal_name_full               'Chemistry Letters'
_journal_page_first              1327
_journal_page_last               1330
_journal_volume                  1981
_journal_year                    1981
_chemical_compound_source
'Baker mine, Kern County, Boron, California, USA'
_chemical_formula_sum            'As0.8 H2 Na2 O2 S13 Sb7.2'
_chemical_name_mineral           Gerstleyite
_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                 127.85
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.911
_cell_length_b                   23.05
_cell_length_c                   7.097
_cell_volume                     1280.210
_database_code_amcsd             0012197
_exptl_crystal_density_diffrn    3.718
_cod_original_formula_sum        'Na2 (Sb7.2 As.8) S13 O2 H2'
_cod_database_code               9009996
Connellite from Bisbee, Arizona: A single-crystal X-ray study
Hibbs, D. E.; Leverett, P.; Williams, P. A.; Axis 2 (2006) 1–7; doi:

data_9009997
_publ_section_title
;
 Connellite from Bisbee, Arizona: A single-crystal X-ray study
;
_journal_name_full               Axis
_journal_page_first              1
_journal_page_last               7
_journal_volume                  2
_journal_year                    2006
_chemical_compound_source        'Bisbee, Arizona, USA'
_chemical_formula_sum            'Cl0.827 Cu7.5 H27.75 N0.021 O28.487 S0.056'
_chemical_name_mineral           Connellite
_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_formula_units_Z            2
_cell_length_a                   15.7866
_cell_length_b                   15.7866
_cell_length_c                   9.1015
_cell_volume                     1964.359
_database_code_amcsd             0012063
_exptl_crystal_density_diffrn    1.677
_cod_original_formula_sum        'Cu7.5 Cl.827 O28.487 N.021 S.056 H27.75'
_cod_database_code               9009997
Crystal structure of greifensteinite Ca2Be4(Fe2+,Mn)5(PO4)6(OH)4*6H2O Locality: Greifenstein, Saxony, Germany
Rastsvetaeva R K; Gurbanova O A; Chukanov N V; Doklady Chemistry 383 (2002) 78–81; doi:10.1023/A:1014787408843

data_9009998
_publ_section_title
;
 Crystal structure of greifensteinite
 Ca2Be4(Fe2+,Mn)5(PO4)6(OH)4*6H2O
 Locality: Greifenstein, Saxony, Germany
;
_journal_name_full               'Doklady Chemistry'
_journal_page_first              78
_journal_page_last               81
_journal_paper_doi               10.1023/A:1014787408843
_journal_volume                  383
_journal_year                    2002
_chemical_formula_sum
'Al0.2 Be2 Ca Fe1.6 H6.71 Mg0.2 Mn0.35 O17 P3'
_chemical_name_mineral           Greifensteinite
_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                 94.68
_cell_angle_gamma                90
_cell_length_a                   15.903
_cell_length_b                   11.885
_cell_length_c                   6.677
_cell_formula_units_Z            4
_cell_volume                     1257.793
_cod_original_formula_sum        'Ca Be2 (Fe1.6 Al.2 Mg.2) Mn.35 P3 O17 H6.71'
_cod_database_code               9009998