LMucko/crystallography-open-database huggingface dataset:
The deformation mechanism of a pressure-induced phase transition in dehydrated analcime Note: dehydrated, P = 0.9 GPa
Likhachieva, A. Y.; Rashchenko, S. V.; Seryotkin, Y. V.; Mineralogical Magazine 76 (2012) 129–142; doi:10.1180/minmag.2012.076.1.129

data_9015409
_publ_section_title
;
 The deformation mechanism of a pressure-induced phase transition
 in dehydrated analcime
 Note: dehydrated, P = 0.9 GPa
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              129
_journal_page_last               142
_journal_paper_doi               10.1180/minmag.2012.076.1.129
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Nidym River, East Siberia, Russia'
_chemical_formula_sum            'Al8 H1.12 Na7.69 O48.56 Si16'
_chemical_name_mineral           Analcime
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   18.468
_cell_length_b                   18.468
_cell_length_c                   11.601
_cell_volume                     3426.619
_database_code_amcsd             0019000
_exptl_crystal_density_diffrn    2.355
_cod_original_sg_symbol_H-M      'R 3'
_cod_original_formula_sum        'Na7.69 (Al8 Si16) O48.56 H1.12'
_cod_database_code               9015409
_cell_formula_units_Z 3
Dantopaite, Ag5Bi13S22, the 6P natural member of the pavonite homologous series, from Erzwies, Austria
Makovicky, E.; Paar, W. H.; Putz, H.; Zagler, G.; The Canadian Mineralogist 48 (2010) 467–481; doi:10.3749/canmin.48.3.467

data_9015410
_publ_section_title
;
 Dantopaite, Ag5Bi13S22, the 6P natural member of the pavonite homologous
 series, from Erzwies, Austria
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              467
_journal_page_last               481
_journal_paper_doi               10.3749/canmin.48.3.467
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source        'Erzwies, Austria'
_chemical_formula_sum            'Ag1.05 Bi7.64 Cu0.56 S11'
_chemical_name_mineral           Dantopaite
_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                 105.494
_cell_angle_gamma                90
_cell_length_a                   13.380
_cell_length_b                   4.0492
_cell_length_c                   18.690
_cell_formula_units_Z            2
_cell_volume                     975.793
_database_code_amcsd             0006280
_exptl_crystal_density_diffrn    7.141
_cod_original_formula_sum        'Bi7.64 Ag1.05 Cu.56 S11'
_cod_database_code               9015410
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU63
Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.; American Mineralogist 95 (2010) 724–735; doi:10.2138/am.2010.3220

data_9015411
_publ_section_title
;
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU63
;
_journal_name_full               'American Mineralogist'
_journal_page_first              724
_journal_page_last               735
_journal_paper_doi               10.2138/am.2010.3220
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Ca0.889 H4 O10 Si2 Sr0.111'
_chemical_name_mineral           Lawsonite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8439
_cell_length_b                   8.8112
_cell_length_c                   13.1618
_cell_volume                     677.724
_database_code_amcsd             0018950
_exptl_crystal_density_diffrn    3.131
_cod_original_formula_sum        '(Ca.889 Sr.111) Al2 Si2 O10 H4'
_cod_database_code               9015411
The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates Note: beta-hopeite
Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wenger, G.; Chemistry - A European Journal 10 (2004) 2795–2803; doi:10.1002/chem.200305693

data_9015412
_publ_section_title
;
 The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates
 Note: beta-hopeite
;
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              2795
_journal_page_last               2803
_journal_paper_doi               10.1002/chem.200305693
_journal_volume                  10
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H8 O13 P2 Zn3'
_chemical_name_mineral           Hopeite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.0266
_cell_length_b                   10.6060
_cell_length_c                   18.2946
_cell_formula_units_Z            4
_cell_volume                     975.324
_database_code_amcsd             0019556
_exptl_crystal_density_diffrn    3.229
_cod_original_formula_sum        'Zn3 P2 O13 H8'
_cod_database_code               9015412
Paraershovite, Na3K3Fe3+2(Si4O10OH)2(OH)2(H2O)4, a new mineral species from the Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure
Khomyakov, A. P.; Camara, F.; Sokolova, E.; Abdu, Y.; Hawthorne, F. C.; The Canadian Mineralogist 48 (2010) 279–290; doi:10.3749/canmin.48.2.279

data_9015413
_publ_section_title
;
 Paraershovite, Na3K3Fe3+2(Si4O10OH)2(OH)2(H2O)4, a new mineral species from the
 Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              279
_journal_page_last               290
_journal_paper_doi               10.3749/canmin.48.2.279
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source
'the Khibina Alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum
'Fe1.74 H12 K2.92 Mg0.14 Mn1.36 Na2.44 O28 Si8 Ti0.76'
_chemical_name_mineral           Paraershovite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.439
_cell_angle_beta                 96.020
_cell_angle_gamma                91.683
_cell_length_a                   10.1978
_cell_length_b                   12.0155
_cell_length_c                   5.2263
_cell_formula_units_Z            1
_cell_volume                     618.460
_database_code_amcsd             0006330
_exptl_crystal_density_diffrn    2.864
_cod_original_formula_sum
'K2.92 Na2.44 (Fe1.74 Mn1.36 Ti.76 Mg.14) Si8 O28 H12'
_cod_database_code               9015413
Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 293 K, single crystal X-ray data
Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P.; Acta Crystallographica, Section B 63 (2007) 828–835; doi:10.1107/S0108768107043327

data_9015414
_publ_section_title
;
 Neutron diffraction investigation of the temperature dependence of
 crystal structure and thermal motions of red HgI2
 Note: T = 293 K, single crystal X-ray data
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              828
_journal_page_last               835
_journal_paper_doi               10.1107/S0108768107043327
_journal_volume                  63
_journal_year                    2007
_chemical_compound_source        'synthetic, Fluka 83379'
_chemical_formula_sum            'Hg I2'
_chemical_name_mineral           Coccinite
_space_group_IT_number           137
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.3675
_cell_length_b                   4.3675
_cell_length_c                   12.470
_cell_formula_units_Z            2
_cell_volume                     237.866
_database_code_amcsd             0019553
_exptl_crystal_density_diffrn    6.344
_cod_original_sg_symbol_H-M      'P 42/n m c'
_cod_database_code               9015414
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Schorl CROSS
Grice, J. D.; Ercit, T. S.; Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245–266; doi:

data_9015415
_publ_section_title
;
 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
 Sample: Schorl CROSS
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              245
_journal_page_last               266
_journal_volume                  165
_journal_year                    1993
_chemical_compound_source        'Cross Lake, Manitoba, Canada'
_chemical_formula_sum
'Al6.393 B3.102 Fe2.106 H3.65 Li0.09 Mg0.171 Mn0.081 Na0.49 O31 Si5.898 Zn0.159'
_chemical_name_mineral           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_formula_units_Z            3
_cell_length_a                   15.972
_cell_length_b                   15.972
_cell_length_c                   7.160
_cell_volume                     1581.839
_database_code_amcsd             0018786
_exptl_crystal_density_diffrn    3.212
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.49 Fe2.106 Al6.393 Li.09 Mg.171 Mn.081 Zn.159 Si5.898 B3.102 O31 H3.65'
_cod_database_code               9015415
An Addition to the Oxoacid Family: H2B12(OH)12
Stasko, Daniel J.; Perzynski, Kevin J.; Wasil, Mark A.; Brodbeck, Julia K.; Kirschbaum, Kristin; Kim, Yong Wah; Lind, Cora; Inorganic Chemistry 43 (2004) 3786–3788; doi:10.1021/ic049564k

data_9015416
_publ_section_title
;
 An Addition to the Oxoacid Family: H2B12(OH)12
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   13
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3786
_journal_page_last               3788
_journal_paper_doi               10.1021/ic049564k
_journal_volume                  43
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B6 H7 O6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.143
_cell_angle_gamma                90
_cell_length_a                   8.2370
_cell_length_b                   8.2930
_cell_length_c                   8.3553
_cell_formula_units_Z            4
_cell_volume                     570.744
_database_code_amcsd             0018656
_exptl_crystal_density_diffrn    1.954
_cod_duplicate_entry             4311167
_cod_original_formula_sum        'B6 O6 H7'
_cod_database_code               9015416
_amcsd_formula_title             H2B12(OH)12
Crystal structure of celadonite from the electron diffraction data
Zhukhlistov, A. P.; Crystallography Reports 50 (2005) 902–906; doi:10.1134/1.2132393

data_9015417
_publ_section_title
;
 Crystal structure of celadonite from the electron diffraction data
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              902
_journal_page_last               906
_journal_paper_doi               10.1134/1.2132393
_journal_volume                  50
_journal_year                    2005
_chemical_compound_source
'Krivoi mine, Khibiny Massif, Kola Peninsula, Russia'
_chemical_formula_sum
'Al0.42 Ca0.04 Fe1.3 H2 K0.78 Mg0.58 O12 Si3.68 Ti0.02'
_chemical_name_mineral           Celadonite
_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                 100.53
_cell_angle_gamma                90
_cell_length_a                   5.227
_cell_length_b                   9.053
_cell_length_c                   10.153
_cell_formula_units_Z            2
_cell_volume                     472.349
_database_code_amcsd             0019600
_exptl_crystal_density_diffrn    3.012
_cod_original_formula_sum
'K.78 Ca.04 Fe1.3 Al.42 Mg.58 Ti.02 Si3.68 O12 H2'
_cod_database_code               9015417
The crystal structure of zinc meta-antimonate Zn(SbO~3~)~2~
Clark, G. L.; Reynolds, D. A.; Zeitschrift für Kristallographie - Crystalline Materials 98 (1938) 185–190; doi:10.1524/zkri.1938.98.1.185

data_9015418
_publ_section_title
;
 The crystal structure of zinc meta-antimonate Zn(SbO~3~)~2~
;
_journal_issue                   1-6
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie - Crystalline Materials
;
_journal_page_first              185
_journal_page_last               190
_journal_paper_doi               10.1524/zkri.1938.98.1.185
_journal_volume                  98
_journal_year                    1938
_chemical_formula_sum            'Sb2 Zn'
_space_group_IT_number           118
_symmetry_space_group_name_Hall  'P -4 -2n'
_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                   6.585
_cell_length_b                   6.585
_cell_length_c                   6.585
_cell_volume                     285.540
_database_code_amcsd             0017499
_exptl_crystal_density_diffrn    3.593
_cod_duplicate_entry             1010617
_cod_original_formula_sum        'Zn Sb2'
_cod_database_code               9015418
_amcsd_formula_title             'O6 Sb2 Zn'
The single-crystal X-ray structure of gagarinite-(Ce)
Sciberras, M. J.; Leverett, P.; Williams, P. A.; Hibbs, D. E.; Roberts, A. C.; Grice, J. D.; The Canadian Mineralogist 49 (2011) 1111–1114; doi:10.3749/canmin.49.4.1111

data_9015419
_publ_section_title
;
 The single-crystal X-ray structure of gagarinite-(Ce)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1111
_journal_page_last               1114
_journal_paper_doi               10.3749/canmin.49.4.1111
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source
'Strange Lake deposit, Quebec-Labrador, Canada'
_chemical_formula_sum
'Ca0.45 Ce0.275 Dy0.006 F3 Gd0.033 La0.143 Na0.45 Nd0.099 Sm0.011 Y0.044'
_chemical_name_mineral           Gagarinite-(Ce)
_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                   6.0861
_cell_length_b                   6.0861
_cell_length_c                   3.6810
_cell_formula_units_Z            2
_cell_volume                     118.080
_database_code_amcsd             0018644
_exptl_crystal_density_diffrn    4.775
_cod_original_formula_sum
'Ce.275 La.143 Nd.099 Y.044 Gd.033 Sm.011 Dy.006 Ca.45 Na.45 F3'
_cod_database_code               9015419
Fluoro-potassic-pargasite, KCa2(Mg4Al)(Si6Al2)O22F2, from the Tranomaro area, Madagascar: mineral description and crystal chemistry
Oberti, R.; Boiocchi, M.; Hawthorne, F. C.; Pagano, R.; Pagano, A.; Mineralogical Magazine 74 (2010) 961–967; doi:10.1180/minmag.2010.074.6.961

data_9015420
_publ_section_title
;
 Fluoro-potassic-pargasite, KCa2(Mg4Al)(Si6Al2)O22F2, from the
 Tranomaro area, Madagascar: mineral description and crystal chemistry
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              961
_journal_page_last               967
_journal_paper_doi               10.1180/minmag.2010.074.6.961
_journal_volume                  74
_journal_year                    2010
_chemical_compound_source        'Tranomaro area, Madagascar'
_chemical_formula_sum
'Al2.99 Ca2.03 F1.26 Fe0.51 H0.74 K0.691 Mg3.64 Mn0.01 Na0.281 O22.74 Si5.8 Ti0.05'
_chemical_name_mineral           Fluoro-potassic-pargasite
_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                 105.534
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.9104
_cell_length_b                   17.9739
_cell_length_c                   5.3205
_cell_volume                     913.114
_database_code_amcsd             0018305
_exptl_crystal_density_diffrn    3.153
_cod_original_formula_sum
'K.691 Na.281 Ca2.03 Mg3.64 Fe.51 Al2.99 Ti.05 Mn.01 Si5.8 O22.74 F1.26 H.74'
_cod_database_code               9015420
Crystal structure of tricalcium silicate, 3CaO*SiO2 = C3S
Golovastikov, N.; Matveeva, R.; Belov, N.; Kristallografiya 20 (1975) 721–729; doi:

data_9015421
_publ_section_title
;
 Crystal structure of tricalcium silicate, 3CaO*SiO2 = C3S
;
_journal_name_full               Kristallografiya
_journal_page_first              721
_journal_page_last               729
_journal_volume                  20
_journal_year                    1975
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca3 O5 Si'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.30
_cell_angle_beta                 94.20
_cell_angle_gamma                90
_cell_length_a                   11.67
_cell_length_b                   14.24
_cell_length_c                   13.72
_cell_formula_units_Z            18
_cell_volume                     2192.843
_database_code_amcsd             0017809
_exptl_crystal_density_diffrn    3.112
_cod_original_formula_sum        'Ca3 Si O5'
_cod_database_code               9015421
_amcsd_formula_title             Ca3SiO5
On the structure of Sr Cl2 (H2 O)6 _cod_database_code 1011356
Jensen, A.; Kongelige Danske Videnskabernes Selskab, Matematisk-Fysike Meddelelser 17 (1940) 1–27; doi:

data_9015422
_publ_section_title
;
 On the structure of Sr Cl2 (H2 O)6
 _cod_database_code 1011356
;
_journal_name_full
'Kongelige Danske Videnskabernes Selskab, Matematisk-Fysike Meddelelser'
_journal_page_first              1
_journal_page_last               27
_journal_volume                  17
_journal_year                    1940
_chemical_formula_sum            'Cl2 O6 Sr'
_chemical_name_mineral           'Antarcticite (Sr)'
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.94
_cell_length_b                   7.94
_cell_length_c                   4.108
_cell_formula_units_Z            1
_cell_volume                     224.286
_database_code_amcsd             0018193
_exptl_crystal_density_diffrn    1.884
_cod_duplicate_entry             1011356
_cod_original_formula_sum        'Sr Cl2 O6'
_cod_database_code               9015422
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L19, disordered model
Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.; The Canadian Mineralogist 49 (2011) 63–88; doi:10.3749/canmin.49.1.63

data_9015423
_publ_section_title
;
 Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar.
 I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy
 Sample: L19, disordered model
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              63
_journal_page_last               88
_journal_paper_doi               10.3749/canmin.49.1.63
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Anjanabonoina, central Madagascar'
_chemical_formula_sum
'Al7.296 B3 Ca0.682 F0.669 Fe0.045 H3.33 Li1.626 Mn0.027 Na0.248 O30.33 Pb0.009 Si6 Ti0.003'
_chemical_name_mineral           Fluor-liddicoatite
_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                   15.8343
_cell_length_b                   15.8343
_cell_length_c                   7.1012
_cell_formula_units_Z            3
_cell_volume                     1541.914
_database_code_amcsd             0018433
_exptl_crystal_density_diffrn    3.068
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Ca.682 Na.248 Pb.009 Ti.003 Al7.296 Fe.045 Mn.027 Li1.626 Si6 B3 F.669 O30.33 H3.33'
_cod_database_code               9015423
The crystal structures and Raman spectra of aravaipaite and calcioaravaipaite
Kampf, A. R.; Yang, H.; Downs, R. T.; Pinch, W. W.; American Mineralogist 96 (2011) 402–407; doi:10.2138/am.2011.3620

data_9015424
_publ_section_title
;
 The crystal structures and Raman spectra of aravaipaite and calcioaravaipaite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              402
_journal_page_last               407
_journal_paper_doi               10.2138/am.2011.3620
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source
'Grand Reef mine, Aravaipa mining district, Arizona, USA'
_chemical_formula_sum            'Al Ca2 F9 Pb'
_chemical_name_mineral           Calcioaravaipaite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.364
_cell_angle_beta                 101.110
_cell_angle_gamma                91.525
_cell_length_a                   5.3815
_cell_length_b                   5.3846
_cell_length_c                   12.2034
_cell_formula_units_Z            2
_cell_volume                     346.720
_database_code_amcsd             0018321
_exptl_crystal_density_diffrn    4.649
_cod_original_formula_sum        'Pb Ca2 Al F9'
_cod_database_code               9015424