LMucko/crystallography-open-database huggingface dataset:
Ab initio structure determination of new compound LiAlB~2~O~5~
He, M; Chen, X; Lan, Y; Li, H; Xu, Y; Journal of Solid State Chemistry 156 (2001) 181–184; doi:10.1006/jssc.2000.8979

data_1100987
_publ_section_title
;
Ab initio structure determination of new compound LiAlB~2~O~5~
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              181
_journal_page_last               184
_journal_paper_doi               10.1006/jssc.2000.8979
_journal_volume                  156
_journal_year                    2001
_chemical_formula_structural     'Li Al B2 O5'
_chemical_formula_sum            'Al B2 Li O5'
_chemical_name_systematic
;
Lithium Aluminium Boron Oxide (1/1/2/5)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 120.0681(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.9096(1)
_cell_length_b                   10.0634(1)
_cell_length_c                   9.3552(1)
_cell_volume                     807.39
_refine_ls_R_factor_all          0.07
_cod_duplicate_entry             1100045
_cod_depositor_comments
;
 Changing the space group from 'P 1 2/c 1' to 'C 1 2/c 1' after consulting
 the original publication. All related space group information was changed
 accordingly.

 Antanas Vaitkus,
 2017-07-04
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1100987
Synthesis, Thermal and X-Ray Investigations of the High-Temperature Phase of Copper(I) Cyanide
Reckeweg, Olaf; Lind, Cora; Simon, Arndt; Salvo, J.; Zeitschrift für Naturforschung B 58 (2003) 155–158; doi:

data_1101018
_publ_section_title
;
 Synthesis, Thermal and X-Ray Investigations of the High-Temperature Phase
 of Copper(I) Cyanide
;
_journal_issue                   1
_journal_name_full               'Zeitschrift f\"ur Naturforschung B'
_journal_page_first              155
_journal_page_last               158
_journal_volume                  58
_journal_year                    2003
_chemical_formula_sum            'C Cu N'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_audit_update_record
; 18:43:25 03-JUL-2002  Initial CIF as created by GSAS2CIF
  Olaf Reckeweg
  Department of Chemistry & Chemical Biolo
  Cornell University
  Ithaca, NY 14853
;
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_length_a                   6.027318(29)
_cell_length_b                   6.027318(29)
_cell_length_c                   4.82861(13)
_diffrn_radiation_polarisn_ratio .5
_diffrn_radiation_probe          x-ray
_exptl_crystal_thermal_history   'annealed at 330 C'
_pd_calc_method                  'Rietveld Refinement'
_pd_meas_2theta_range_inc        .029
_pd_meas_2theta_range_max        109.997
_pd_meas_2theta_range_min        20.01
_pd_phase_name                   CuCN
_pd_proc_2theta_range_inc        .029
_pd_proc_2theta_range_max        109.997
_pd_proc_2theta_range_min        20.01
_pd_proc_info_datetime           '18:43:40 03-JUL-2002'
_refine_ls_goodness_of_fit_all   1519.54
_refine_ls_number_parameters     14
_cod_duplicate_entry             1100000
_cod_original_sg_symbol_H-M      'R -3 m h'
_cod_original_formula_sum        'Cu1 C1 N1'
_cod_database_code               1101018
data_1101019
_chemical_formula_sum            Pt
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   Fm-3m
_audit_update_record             'Last update Sat May 10 13:54:28 CEST 2003'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.9195998
_cell_length_b                   3.9195998
_cell_length_c                   3.9195998
_pd_phase_id                     Pt
_pd_phase_name                   platinum-EWIMV
_pd_proc_info_author_name        'Mag por Jesus'
_pd_proc_ls_prof_R_factor        0.14258711
_pd_proc_ls_prof_wR_expected     0.21868365
_pd_proc_ls_prof_wR_factor       0.17336029
_cod_original_formula_sum        Pt1
_cod_database_code               1101019
_pd_proc_title                   PTCF1
_pd_proc_ls_extract_int          'end of iteration'
_pd_proc_ls_texture_comp         'end of iteration'
_pd_proc_ls_theoretical_weight   false
_pd_proc_ls_extract_pos          'end of iteration'
_pd_proc_ls_strain_comp          'end of iteration'
_pd_proc_ls_extract_fhkl         'end of iteration'
_pd_proc_ls_fhkl_comp            'end of iteration'
_pd_proc_ls_weight_scheme        sqrt
_maud_proc_ls_minimize_quantity  WgtSS
_riet_z_molecula_number          1
Order-disorder transformations in graphite nitrates
Nixon, D. E.; Parry, G. S.; Ubbelohde, A. R.; Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences 291 (1966) 324–339; doi:10.1098/rspa.1966.0098

data_1101020
_publ_section_title
;
 Order-disorder transformations in graphite nitrates
;
_journal_coden_ASTM              PRLAAZ
_journal_issue                   1426
_journal_name_full
;
 Proceedings of the Royal Society of London, Series A: Mathematical and
 Physical Sciences
;
_journal_page_first              324
_journal_page_last               339
_journal_paper_doi               10.1098/rspa.1966.0098
_journal_volume                  291
_journal_year                    1966
_chemical_formula_analytical     'C (H N O3)'
_chemical_formula_structural     C
_chemical_formula_sum            'C H N O3'
_chemical_name_mineral           'Graphite nitrate'
_chemical_name_systematic        Carbon
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_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            12
_cell_length_a                   2.46
_cell_length_b                   2.46
_cell_length_c                   33.45
_cell_volume                     175.3
_cod_duplicate_entry             1000065
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_original_formula_sum        'C1 H1 N1 O3'
_cod_database_code               1101020
The Structure of Graphite
Lipson, H.; Stokes, A. R.; Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 181 (1942) 101–105; doi:10.1098/rspa.1942.0063

data_1101021
_publ_section_title
;
 The Structure of Graphite
;
_journal_coden_ASTM              PRLAAZ
_journal_issue                   984
_journal_name_full
;
 Proceedings of the Royal Society A: Mathematical, Physical
 and Engineering Sciences
;
_journal_page_first              101
_journal_page_last               105
_journal_paper_doi               10.1098/rspa.1942.0063
_journal_volume                  181
_journal_year                    1942
_chemical_formula_structural     C
_chemical_formula_sum            C
_chemical_name_mineral           'Graphite 3R'
_chemical_name_systematic        Carbon
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                39.49
_cell_angle_beta                 39.49
_cell_angle_gamma                39.49
_cell_formula_units_Z            2
_cell_length_a                   3.635
_cell_length_b                   3.635
_cell_length_c                   3.635
_cell_volume                     17.5
_database_code_amcsd             0015334
_cod_duplicate_entry             1200018
_cod_original_sg_symbol_H-M      'R -3 m R'
_cod_database_code               1101021
Zinc-blende-Wurtzite polytypism in semiconductors
Yeh, C; Lu, Z W; Froyen, S; Zunger, A; Physical Review, Serie 3. B - Condensed Matter 46 (1992) 10086–10097; doi:10.1103/PhysRevB.46.10086

data_1101022
_publ_section_title
;
Zinc-blende-Wurtzite polytypism in semiconductors
;
_journal_name_full
;
Physical Review, Serie 3. B - Condensed Matter
;
_journal_page_first              10086
_journal_page_last               10097
_journal_paper_doi               10.1103/PhysRevB.46.10086
_journal_volume                  46
_journal_year                    1992
_chemical_formula_structural     C
_chemical_formula_sum            C
_chemical_name_mineral           Lonsdaleite
_chemical_name_systematic        Carbon
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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_formula_units_Z            4
_cell_length_a                   2.49
_cell_length_b                   2.49
_cell_length_c                   4.144
_cell_volume                     22.3
_exptl_crystal_density_meas      3.5
_cod_database_code               1101022
_cod_duplicate_entry             1200019
X-ray structural investigation of single crystals of lanthanum, cerium, and samarium hexaborides
Eliseev, A A; Efremmov, V A; Kuz'micheva, G M; Konovalova, E S; Lazorenko, V I; Paderno, Y B; Khlyustova, S Y; Kristallografiya 31 (1986) 803–805; doi:

data_1101023
_publ_section_title
;
X-ray structural investigation of single crystals of lanthanum, cerium,
and samarium hexaborides
;
_journal_name_full               Kristallografiya
_journal_page_first              803
_journal_page_last               805
_journal_volume                  31
_journal_year                    1986
_chemical_formula_structural     'La B6'
_chemical_formula_sum            'B6 La'
_chemical_name_systematic        'Lanthanum boride (1/6)'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.1570(1)
_cell_length_b                   4.1570(1)
_cell_length_c                   4.1570(1)
_cell_volume                     71.8
_exptl_crystal_density_meas      4.71(0)
_cod_duplicate_entry             1000057
_cod_database_code               1101023
Contribution to the superstructure resolution of the double layer mineral motukoreaite
Rius, J.; Plana, F.; Neues Jahrbuch fuer Mineralogie. Monatshefte 1986 (1986) 263–272; doi:

data_1101024
_publ_section_title
;
 Contribution to the superstructure resolution of the double layer
 mineral motukoreaite
;
_journal_coden_ASTM              NJMMAW
_journal_name_full
;
 Neues Jahrbuch fuer Mineralogie. Monatshefte
;
_journal_page_first              263
_journal_page_last               272
_journal_volume                  1986
_journal_year                    1986
_chemical_compound_source
;
 the Emile Baudot bank, western Mediterranean
;
_chemical_formula_analytical
;
Mg6 Al3 Na.66 (S O4)1.32 (O H)18 (H2 O)12 O97.74 H
;
_chemical_formula_sum            'Al3.4 H42 Mg5.6 Na0.6 O37.3 S1.3'
_chemical_name_mineral           Motukoreaite
_chemical_name_systematic
;
Magnesium aluminium sodium hydroxide sulfate carbonate hydrate
(5.6/3.4/.6/18/1.3/.7/12)
;
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_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                   9.172(2)
_cell_length_b                   9.172(2)
_cell_length_c                   33.51(1)
_cell_volume                     2441.4
_exptl_crystal_density_meas      1.8
_cod_duplicate_entry             1100006
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_original_formula_sum        'H42 Al3.4 Mg5.6 Na.6 O37.3 S1.3'
_cod_database_code               1101024
Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement
Liang, J-J; Hawthorne, F C; Canadian Mineralogist 34 (1996) 115–122; doi:

data_1101025
_publ_section_title
;
Rietveld refinement of micaceous materials: muscovite-2M1, a comparison
with single-crystal structure refinement
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              115
_journal_page_last               122
_journal_volume                  34
_journal_year                    1996
_chemical_formula_analytical
;
K0.876 Na0.096 Rb0.010 Al1.954 Fe0.029 Mn0.013 (Al0.932 Si3.068) O10
((O H)1.744 F0.256)
;
_chemical_formula_structural
'K0.894 Al1.93 (Al0.943 Si2.829 O10) ((O H)1.744 F0.256)'
_chemical_formula_sum
'Al2.873 F0.256 H1.744 K0.894 O11.744 Si2.829'
_chemical_name_mineral           'Muscovite 2M1'
_chemical_name_systematic
;
Potassium aluminium phyllo-alumosilicate hydroxide fluoride *
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 95.69(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.180(4)
_cell_length_b                   8.993(6)
_cell_length_c                   20.06898(1300)
_cell_volume                     930.3
_refine_ls_R_factor_all          0.041
_cod_duplicate_entry             1100007
_cod_original_formula_sum        'H1.744 Al2.873 F.256 K.894 O11.744 Si2.829'
_cod_database_code               1101025
Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement
Liang, J-J; Hawthorne, F C; Canadian Mineralogist 34 (1996) 115–122; doi:

data_1101026
_publ_section_title
;
Rietveld refinement of micaceous materials: muscovite-2M1, a comparison
with single-crystal structure refinement
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              115
_journal_page_last               122
_journal_volume                  34
_journal_year                    1996
_chemical_formula_analytical
;
K0.876 Na0.096 Rb0.010 Al1.954 Fe0.029 Mn0.013 (Al0.932 Si3.068) O10
((O H)1.744 F0.256)
;
_chemical_formula_structural
'K0.86 Al1.94 (Al0.965 Si2.895 O10) ((O H)1.744 F0.256)'
_chemical_formula_sum            'Al2.905 F0.256 H1.744 K0.86 O11.744 Si2.895'
_chemical_name_mineral           'Muscovite 2M1'
_chemical_name_systematic
;
Potassium aluminium phyllo-alumosilicate hydroxide fluoride *
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 95.756(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1765(4)
_cell_length_b                   8.9872(6)
_cell_length_c                   20.07199(100)
_cell_volume                     929.1
_refine_ls_R_factor_all          0.023
_cod_duplicate_entry             1100008
_cod_original_formula_sum        'H1.744 Al2.905 F.256 K.86 O11.744 Si2.895'
_cod_database_code               1101026
Rietveld refinement of micaceous materials: muscovite-2M1, a comparison with single-crystal structure refinement
Liang, J-J; Hawthorne, F C; Canadian Mineralogist 34 (1996) 115–122; doi:

data_1101027
_publ_section_title
;
Rietveld refinement of micaceous materials: muscovite-2M1, a comparison
with single-crystal structure refinement
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              115
_journal_page_last               122
_journal_volume                  34
_journal_year                    1996
_chemical_formula_analytical
;
K0.876 Na0.096 Rb0.010 Al1.954 Fe0.029 Mn0.013 (Al0.932 Si3.068) O10
((O H)1.744 F0.256)
;
_chemical_formula_structural
'K0.94 Al1.96 (Al0.95 Si2.85 O10) ((O H)1.744 F0.256)'
_chemical_formula_sum            'Al2.91 F0.256 H1.744 K0.94 O11.744 Si2.85'
_chemical_name_mineral           'Muscovite 2M1'
_chemical_name_systematic
;
Potassium aluminium phyllo-alumosilicate hydroxide fluoride *
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 95.740(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1805(7)
_cell_length_b                   8.994(1)
_cell_length_c                   20.086(2)
_cell_volume                     931.2
_refine_ls_R_factor_all          0.025
_cod_duplicate_entry             1100009
_cod_original_formula_sum        'H1.744 Al2.91 F.256 K.94 O11.744 Si2.85'
_cod_database_code               1101027
Refined Muscovite structure
Birle, J D; Tettenhorst, R; Mineralogical Magazine and Journal of the Mineralogical Society 36 (1968) 883–886; doi:10.1180/minmag.1968.036.282.24

data_1101028
_publ_section_title              'Refined Muscovite structure'
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society
;
_journal_page_first              883
_journal_page_last               886
_journal_paper_doi               10.1180/minmag.1968.036.282.24
_journal_volume                  36
_journal_year                    1968
_chemical_formula_analytical
;
(K1.87 Na.12) (Al3.67 Fe.24 Mg.12) (Si6.22 Al1.78) O20 (O H)4
;
_chemical_formula_structural     'K (Al1.88 Fe.12) (Si3 Al) O10 (O H)2'
_chemical_formula_sum            'Al2.88 Fe0.12 H2 K O12 Si3'
_chemical_name_mineral           'Muscovite 2M1'
_chemical_name_systematic        'Potassium alumosilicate hydrate *'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 95.18
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.194
_cell_length_b                   8.996(6)
_cell_length_c                   20.09599(200)
_cell_volume                     935.2
_exptl_crystal_density_meas      2.8
_refine_ls_R_factor_all          0.12
_cod_duplicate_entry             1100010
_cod_original_formula_sum        'H2 Al2.88 Fe.12 K O12 Si3'
_cod_database_code               1101028
Crystal structure of a pink Muskovite from Archer's post, Kenya: implications for reverse pleochroism in dioctahedral micas
Richardson, S M; Richardson, J W jr.; American Mineralogist 67 (1982) 69–75; doi:

data_1101029
_publ_section_title
;
Crystal structure of a pink Muskovite from Archer's post, Kenya:
implications for reverse pleochroism in dioctahedral micas
;
_journal_name_full               'American Mineralogist'
_journal_page_first              69
_journal_page_last               75
_journal_volume                  67
_journal_year                    1982
_chemical_formula_sum            'Al3 H2 K O12 Si3'
_chemical_name_mineral           'Muscovite 2M1'
_chemical_name_systematic        'Potassium aluminium silicate hydrate *'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 95.782(39)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1998(21)
_cell_length_b                   9.0266(19)
_cell_length_c                   20.10579(440)
_cell_volume                     938.9
_exptl_crystal_density_meas      2.89
_refine_ls_R_factor_all          0.099
_cod_duplicate_entry             1100011
_cod_original_formula_sum        'H2 Al3 K O12 Si3'
_cod_database_code               1101029
The Structure of Muscovite, KAl~2~(Si~3~Al)O~10~(OH)~2~
Radoslovich, E. W.; Acta Crystallographica 13 (1960) 919–932; doi:10.1107/s0365110x60002259

data_1101030
_publ_section_title
;
 The Structure of Muscovite, KAl~2~(Si~3~Al)O~10~(OH)~2~
;
_journal_coden_ASTM              ACCRA9
_journal_issue                   11
_journal_name_full               'Acta Crystallographica'
_journal_page_first              919
_journal_page_last               932
_journal_paper_doi               10.1107/s0365110x60002259
_journal_volume                  13
_journal_year                    1960
_chemical_formula_sum            'Al3 H2 K O12 Si3'
_chemical_name_mineral           'Muscovite 2M1'
_chemical_name_systematic        'Potassium alumosilicate hydrate *'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 95.18(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.189(10)
_cell_length_b                   8.996(6)
_cell_length_c                   20.096(20)
_cell_volume                     934.3
_exptl_crystal_density_meas      2.8
_refine_ls_R_factor_all          0.125
_cod_original_formula_sum        'H2 Al3 K O12 Si3'
_cod_database_code               1101030
The Crystal Structure of 3T Muscovite
Güven, N.; Burnham, C. W.; Carnegie Institution of Washington: Yearbook 65 (1966) 290–293; doi:

data_1101031
_publ_section_title              'The Crystal Structure of 3T Muscovite'
_journal_name_full               'Carnegie Institution of Washington: Yearbook'
_journal_page_first              290
_journal_page_last               293
_journal_volume                  65
_journal_year                    1966
_chemical_formula_analytical
;
(K.90 Na.06 Ca.01 Ba.01) Al (Al.83 Fe.08 Mg.09 Ti.01) Si2 (Si.555
Al.445)2 O10 (O H)1.98 F.03
;
_chemical_formula_structural     'K (Al3 Si3 O10) (O H)2'
_chemical_formula_sum            'Al3 H2 K O12 Si3'
_chemical_name_mineral           'Muscovite 3T'
_chemical_name_systematic        'Potassium alumosilicate hydroxide *'
_space_group_IT_number           151
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 31 1 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.1963(4)
_cell_length_b                   5.1963(4)
_cell_length_c                   29.97049(160)
_cell_volume                     700.840(13)
_database_code_amcsd             0018221
_exptl_crystal_density_meas      2.82
_refine_ls_R_factor_all          0.073
_cod_duplicate_entry             1100014
_cod_original_formula_sum        'H2 Al3 K O12 Si3'
_cod_database_code               1101031