LMucko/crystallography-open-database huggingface dataset:
Synthesis and crystal structures of the layered I-III-V Zintl phases, K4In4X6, where X=As, Sb _cod_database_code 1008525
Birdwishtell, T.; Klein, C.; Jeffries, T.; Stevens, E.; O'Connor C; Journal of Materials Chemistry 1 (1991) 555–558; doi:10.1039/jm9910100555

data_9014314
_publ_section_title
;
 Synthesis and crystal structures of the layered I-III-V Zintl phases,
 K4In4X6, where X=As, Sb
 _cod_database_code 1008525
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              555
_journal_page_last               558
_journal_paper_doi               10.1039/jm9910100555
_journal_volume                  1
_journal_year                    1991
_chemical_formula_sum            'As3 In2 K2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.30
_cell_angle_gamma                90
_cell_length_a                   14.323
_cell_length_b                   7.106
_cell_length_c                   15.795
_cell_formula_units_Z            8
_cell_volume                     1607.581
_database_code_amcsd             0016418
_exptl_crystal_density_diffrn    4.401
_cod_duplicate_entry             1008525
_cod_original_formula_sum        'In2 As3 K2'
_cod_database_code               9014314
_amcsd_formula_title             'As6 In4 K4'
Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Aged
Sitepu, H.; Powder Diffraction 24 (2009) 315–326; doi:10.1154/1.3257906

data_9014315
_publ_section_title
;
 Texture and structural refinement using neutron diffraction data from
 molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy
 Note: Aged
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              315
_journal_page_last               326
_journal_paper_doi               10.1154/1.3257906
_journal_volume                  24
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni Ti'
_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_formula_units_Z            9
_cell_length_a                   7.34100
_cell_length_b                   7.34100
_cell_length_c                   5.26996
_cell_volume                     245.951
_database_code_amcsd             0018899
_exptl_crystal_density_diffrn    6.476
_cod_original_formula_sum        'Ti Ni'
_cod_database_code               9014315
_amcsd_formula_title             TiNi
Deformation density in magnesium sulfite hexahydrate
Bats, J. W.; Fuess, H.; Elerman, Y.; Acta Crystallographica, Section B 42 (1986) 552–557; doi:10.1107/S0108768186097719

data_9014316
_publ_section_title
;
 Deformation density in magnesium sulfite hexahydrate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              552
_journal_page_last               557
_journal_paper_doi               10.1107/S0108768186097719
_journal_volume                  42
_journal_year                    1986
_chemical_formula_sum            'Mg O9 S'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'P 3*'
_symmetry_space_group_name_H-M   'R 3 :R'
_cell_angle_alpha                96.25
_cell_angle_beta                 96.25
_cell_angle_gamma                96.25
_cell_length_a                   5.911
_cell_length_b                   5.911
_cell_length_c                   5.911
_cell_formula_units_Z            1
_cell_volume                     202.553
_database_code_amcsd             0018258
_exptl_crystal_density_diffrn    1.643
_cod_duplicate_entry             1100083
_cod_original_sg_symbol_H-M      'R 3'
_cod_original_formula_sum        'Mg S O9'
_cod_database_code               9014316
_amcsd_formula_title             'H12 Mg O9 S'
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L19, ordered 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_9014317
_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, ordered 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 H3.331 Li1.626 Mn0.027 Na0.248 O30.331 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             0018432
_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 O30.331 H3.331'
_cod_database_code               9014317
Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea
Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N.; The Canadian Mineralogist 50 (2012) 593–609; doi:10.3749/canmin.50.3.593

data_9014318
_publ_section_title
;
 Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              593
_journal_page_last               609
_journal_paper_doi               10.3749/canmin.50.3.593
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source
'the nepheline syenites of the Los Archipelago, Guinea'
_chemical_formula_sum
'Ca0.82 F1.25 Mn0.79 Na1.18 O7.75 Si2 Ti0.477 Zr0.733'
_chemical_name_mineral           Lavenite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.392
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8475
_cell_length_b                   9.9364
_cell_length_c                   7.1488
_cell_volume                     731.175
_database_code_amcsd             0019476
_exptl_crystal_density_diffrn    3.607
_cod_original_formula_sum
'Zr.733 Ti.477 Mn.79 (Ca.82 Na1.18) Si2 O7.75 F1.25'
_cod_database_code               9014318
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 6.326 GPa
Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.; Physics and Chemistry of Minerals 35 (2008) 493–504; doi:10.1007/s00269-008-0244-4

data_9014319
_publ_section_title
;
 The effect of oxygen vacancies and aluminium substitution on the
 high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5
 Note: x = 0.0
 Note: P = 6.326 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              493
_journal_page_last               504
_journal_paper_doi               10.1007/s00269-008-0244-4
_journal_volume                  35
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca2 Fe2 O5'
_chemical_name_mineral           Brownmillerite
_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                   5.3422
_cell_length_b                   14.5385
_cell_length_c                   5.5277
_cell_formula_units_Z            4
_cell_volume                     429.323
_database_code_amcsd             0017763
_exptl_crystal_density_diffrn    4.206
_cod_database_code               9014319
Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1
Yamazaki, S.; Toraya, H.; Journal of Applied Crystallography 32 (1999) 51–59; doi:10.1107/S0021889898010206

data_9014320
_publ_section_title
;
 Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4
 using a new weight function in least-squares fitting
 Note: e = 1
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              51
_journal_page_last               59
_journal_paper_doi               10.1107/S0021889898010206
_journal_volume                  32
_journal_year                    1999
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mn2 O4 Si'
_chemical_name_mineral           Tephroite
_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                   10.60016
_cell_length_b                   6.25753
_cell_length_c                   4.90338
_cell_formula_units_Z            4
_cell_volume                     325.245
_database_code_amcsd             0019692
_exptl_crystal_density_diffrn    4.124
_cod_original_formula_sum        'Mn2 Si O4'
_cod_database_code               9014320
Tetrafluorure de Neptunium Hydrate, Np3 F12 1. 1H H2 O _cod_database_code 1001844
Cousson, A.; Abazli, H.; Pages, M.; Gasperin, M.; Acta Crystallographica, Section C 39 (1983) 425–427; doi:10.1107/S0108270183004989

data_9014321
_publ_section_title
;
 Tetrafluorure de Neptunium Hydrate, Np3 F12 1. 1H H2 O
 _cod_database_code 1001844
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              425
_journal_page_last               427
_journal_paper_doi               10.1107/S0108270183004989
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'F12 Np3 O'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                113.83
_cell_angle_beta                 116.64
_cell_angle_gamma                58.03
_cell_length_a                   8.455
_cell_length_b                   8.858
_cell_length_c                   8.396
_cell_formula_units_Z            2
_cell_volume                     465.156
_database_code_amcsd             0009974
_exptl_crystal_density_diffrn    6.818
_cod_duplicate_entry             1001844
_cod_original_formula_sum        'Np3 F12 O'
_cod_database_code               9014321
_amcsd_formula_title             'F12 H2 Np3 O'
The crystal structure of albrechtschraufite, MgCa4F2[UO2(CO3)3]2*17-18H2O
Mereiter, K.; Mineralogy and Petrology  (2013) pre–print; doi:

data_9014322
_publ_section_title
;
 The crystal structure of albrechtschraufite, MgCa4F2[UO2(CO3)3]2*17-18H2O
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              pre
_journal_page_last               print
_journal_volume                  xx
_journal_year                    2013
_chemical_compound_source        'Joachimsthal, Bohemia'
_chemical_formula_sum            'C6 H34.56 Ca4 F2 Mg O39.28 U2'
_chemical_name_mineral           Albrechtschraufite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                115.82
_cell_angle_beta                 107.61
_cell_angle_gamma                92.84
_cell_formula_units_Z            2
_cell_length_a                   13.569
_cell_length_b                   13.419
_cell_length_c                   11.622
_cell_volume                     1774.626
_database_code_amcsd             0018906
_exptl_crystal_density_diffrn    2.684
_cod_original_formula_sum        'Mg Ca4 F2 U2 O39.28 C6 H34.56'
_cod_database_code               9014322
The crystal structure of neptunite
Cannillo, E.; Mazzi, F.; Rossi, G.; Acta Crystallographica 21 (1966) 200–208; doi:10.1107/S0365110X66002627

data_9014323
_publ_section_title
;
 The crystal structure of neptunite
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              200
_journal_page_last               208
_journal_paper_doi               10.1107/S0365110X66002627
_journal_volume                  21
_journal_year                    1966
_chemical_compound_source        'San Benito, California, USA'
_chemical_formula_sum            'Fe2 K Li Na2 O24 Si8 Ti2'
_chemical_name_mineral           Neptunite
_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                 115.43
_cell_angle_gamma                90
_cell_length_a                   16.46
_cell_length_b                   12.50
_cell_length_c                   10.01
_cell_formula_units_Z            4
_cell_volume                     1860.008
_database_code_amcsd             0018847
_exptl_crystal_density_diffrn    3.243
_cod_original_formula_sum        '(Fe2 Ti2) Na2 K Li Si8 O24'
_cod_database_code               9014323
Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N12
Ardit, M.; Dondi, M.; Cruciani, G.; American Mineralogist 97 (2012) 910–917; doi:10.2138/am.2012.3977

data_9014324
_publ_section_title
;
 Structural stability, cation ordering, and local
 relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join
 Note: Sample label: N12
;
_journal_name_full               'American Mineralogist'
_journal_page_first              910
_journal_page_last               917
_journal_paper_doi               10.2138/am.2012.3977
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.875 Cr0.125 Nb O4'
_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                 107.67
_cell_angle_gamma                90
_cell_length_a                   12.1724
_cell_length_b                   3.7550
_cell_length_c                   6.4957
_cell_formula_units_Z            4
_cell_volume                     282.894
_database_code_amcsd             0019053
_exptl_crystal_density_diffrn    4.391
_cod_original_formula_sum        'Al.875 Nb O4 Cr.125'
_cod_database_code               9014324
_amcsd_formula_title             AlNbO4
Etude systematique des phosphates condenses _cod_database_code 1007059
Laugt, M.; Durif, A.; Seminaire de Chimie de l'Etat Solide 1972 (1972) 157–175; doi:

data_9014325
_publ_section_title
;
 Etude systematique des phosphates condenses
 _cod_database_code 1007059
;
_journal_name_full               'Seminaire de Chimie de l'Etat Solide'
_journal_page_first              157
_journal_page_last               175
_journal_volume                  1972
_journal_year                    1972
_chemical_formula_sum            'Cu N O9 P3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.16
_cell_angle_gamma                90
_cell_length_a                   5.182
_cell_length_b                   11.544
_cell_length_c                   13.06
_cell_formula_units_Z            4
_cell_volume                     775.170
_database_code_amcsd             0015446
_exptl_crystal_density_diffrn    2.695
_cod_duplicate_entry             1007059
_cod_original_formula_sum        'N Cu P3 O9'
_cod_database_code               9014325
_amcsd_formula_title             'Cu H4 N O9 P3'
Crystal chemistry of murunskite
Pekov, I. V.; Zubkova, N. V.; Lisitsyn, D. V.; Pushcharovsky, D. Y.; Doklady Earth Sciences 424 (2009) 139–141; doi:10.1134/S1028334X09010292

data_9014326
_publ_section_title
;
 Crystal chemistry of murunskite
;
_journal_name_full               'Doklady Earth Sciences'
_journal_page_first              139
_journal_page_last               141
_journal_paper_doi               10.1134/S1028334X09010292
_journal_volume                  424
_journal_year                    2009
_chemical_compound_source        'Murun pluton, Eastern Siberia, Russia'
_chemical_formula_sum            'Cu1.48 Fe0.54 K0.737 S2'
_chemical_name_mineral           Murunskite
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.8460
_cell_length_b                   3.8460
_cell_length_c                   13.308
_cell_formula_units_Z            2
_cell_volume                     196.848
_database_code_amcsd             0017729
_exptl_crystal_density_diffrn    3.664
_cod_original_formula_sum        'K.737 Cu1.48 Fe.54 S2'
_cod_database_code               9014326
Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 4.58 GPa T = 293 K Note: quartz structure
Yamanaka, T.; Ogata, K.; Journal of Applied Crystallography 24 (1991) 111–118; doi:10.1107/S0021889890011153

data_9014327
_publ_section_title
;
 Structure refinement of GeO2 polymorphs at high pressures and
 temperatures by energy-dispersive spectra of powder diffraction
 Note: P = 4.58 GPa T = 293 K
 Note: quartz structure
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              111
_journal_page_last               118
_journal_paper_doi               10.1107/S0021889890011153
_journal_volume                  24
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ge O2'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.8310
_cell_length_b                   4.8310
_cell_length_c                   5.5680
_cell_formula_units_Z            3
_cell_volume                     112.539
_database_code_amcsd             0019059
_exptl_crystal_density_diffrn    4.631
_cod_database_code               9014327
_amcsd_formula_title             GeO2
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type _cod_database_code 1004140
Drache, M.; Obbade, S.; Wignacourt, J.; Conflant, P.; Journal of Solid State Chemistry 142 (1999) 349–359; doi:10.1006/jssc.1998.8043

data_9014328
_publ_section_title
;
 Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5
 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with
 rhombohedral Bi-Sr-O type
 _cod_database_code 1004140
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              349
_journal_page_last               359
_journal_paper_doi               10.1006/jssc.1998.8043
_journal_volume                  142
_journal_year                    1999
_chemical_formula_sum            'Bi2.325 Gd0.675 O4.5'
_space_group_IT_number           166
_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                   3.9724
_cell_length_b                   3.9724
_cell_length_c                   27.33899
_cell_formula_units_Z            3
_cell_volume                     373.610
_database_code_amcsd             0013964
_exptl_crystal_density_diffrn    8.854
_cod_duplicate_entry             1004140
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Bi2.325 Gd.675 O4.5'
_cod_database_code               9014328
_amcsd_formula_title             'Bi0.775 Gd0.225 O1.5'
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions _cod_database_code 1001723
Groult, D.; Michel, C.; Raveau, B.; Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203–2205; doi:10.1016/0022-1902(75)80857-8

data_9014329
_publ_section_title
;
 Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par
 echanges d'ions
 _cod_database_code 1001723
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              2203
_journal_page_last               2205
_journal_paper_doi               10.1016/0022-1902(75)80857-8
_journal_volume                  37
_journal_year                    1975
_chemical_formula_sum            'Ba0.4 O7 Ta2'
_chemical_name_mineral           Bariomicrolite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.589
_cell_length_b                   10.589
_cell_length_c                   10.589
_cell_formula_units_Z            8
_cell_volume                     1187.312
_database_code_amcsd             0013050
_exptl_crystal_density_diffrn    5.917
_cod_duplicate_entry             1001723
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Ta2 Ba.4 O7'
_cod_database_code               9014329
Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 200 K, powder neutron data
Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P.; Acta Crystallographica, Section B 63 (2007) 828–835; doi:10.1107/S0108768107043327

data_9014330
_publ_section_title
;
 Neutron diffraction investigation of the temperature dependence of
 crystal structure and thermal motions of red HgI2
 Note: T = 200 K, powder neutron data
;
_journal_issue                   5
_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                   4.365
_cell_length_b                   4.365
_cell_length_c                   12.389
_cell_formula_units_Z            2
_cell_volume                     236.050
_database_code_amcsd             0019551
_exptl_crystal_density_diffrn    6.393
_cod_original_sg_symbol_H-M      'P 42/n m c'
_cod_database_code               9014330