LMucko/crystallography-open-database huggingface dataset:
Crystal structure of distrontium praseodym gallium pentaoxide, Sr~2~PrGaO~5~
Gesing, Thorsten M.; Uecker, Reinhard; Buhl, J.-C.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 430–430; doi:

data_8101616
_publ_section_title
;
Crystal structure of distrontium praseodym gallium pentaoxide, Sr~2~PrGaO~5~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              430
_journal_page_last               430
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         Sr2PrGaO5
_chemical_formula_structural     'Sr2 Pr Ga O5'
_chemical_formula_sum            'Ga4 O20 Pr4 Sr8'
_chemical_formula_weight         465.87
_chemical_name_common            Sr2PrGaO5
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.84407(19)
_cell_length_b                   6.84407(19)
_cell_length_c                   11.25338(35)
_cell_measurement_temperature    295(2)
_cell_volume                     527.12(3)
_diffrn_ambient_temperature      295(2)
_pd_calc_method                  'Rietveld Refinement'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        89.98
_pd_meas_2theta_range_min        20.00
_pd_meas_number_of_points        3500
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        89.98
_pd_proc_2theta_range_min        20.00
_pd_proc_ls_prof_R_factor        0.0351
_pd_proc_ls_prof_wR_expected     0.0177
_pd_proc_ls_prof_wR_factor       0.0523
_pd_proc_number_of_points        3500
_reflns_d_resolution_high        1.0915
_reflns_d_resolution_low         5.6265
_reflns_limit_h_max              6
_reflns_limit_h_min              0
_reflns_limit_k_max              4
_reflns_limit_k_min              0
_reflns_limit_l_max              10
_reflns_limit_l_min              0
_cod_depositor_comments
;
 Added _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-04-12
;
_cod_original_formula_sum        'Sr8 Pr4 Ga4 O20'
_cod_database_code               8101616
_pd_proc_ls_prof_r_factor_on_i   0.0382
_pd_proc_ls_prof_r_factor_on_f   0.0203
Crystal structure of praseodym gallate, Pr~4~Ga~2~O~9~
Gesing, Thorsten M.; Uecker, Reinhard; Buhl, J.-C.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 431–431; doi:

data_8101617
_publ_section_title
;
Crystal structure of praseodym gallate, Pr~4~Ga~2~O~9~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              431
_journal_page_last               431
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         Pr4Ga2O9
_chemical_formula_structural     'Pr4 Ga2 O9'
_chemical_formula_sum            'Ga8 O36 Pr16'
_chemical_formula_weight         847.08
_chemical_name_common            Pr4Ga2O9
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 109.1872(33)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.82559(42)
_cell_length_b                   11.03223(53)
_cell_length_c                   11.49591(65)
_cell_measurement_temperature    295(2)
_cell_volume                     937.35(9)
_diffrn_ambient_temperature      295(2)
_pd_calc_method                  'Rietveld Refinement'
_pd_proc_ls_prof_R_factor        0.0260
_pd_proc_ls_prof_wR_expected     0.0232
_pd_proc_ls_prof_wR_factor       0.0345
_cod_depositor_comments
;
 Added _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-04-12
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Pr16 Ga8 O36'
_cod_database_code               8101617
_pd_proc_ls_prof_r_factor_on_i   0.0333
_pd_proc_ls_prof_r_factor_on_f   0.0150
Crystal structure of strontium praseodym aluminate, SrPrAlO~4~
Gesing, Thorsten M.; Uecker, Reinhard; Buhl, J.-C.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 432–432; doi:

data_8101618
_publ_section_title
;
Crystal structure of strontium praseodym aluminate, SrPrAlO~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              432
_journal_page_last               432
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         SrPrAlO4
_chemical_formula_structural     'Sr2 Pr2 Al2 O8'
_chemical_formula_sum            'Al O4 Pr Sr'
_chemical_formula_weight         319.51
_chemical_name_common            'strontium praseodym aluminate'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   3.7360(10)
_cell_length_b                   3.7360(10)
_cell_length_c                   12.532(3)
_cell_measurement_temperature    293(2)
_cell_volume                     174.92(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.066
_refine_ls_R_factor_obs          0.0104
_refine_ls_wR_factor_obs         0.0207
_cod_database_code               8101618
Redetermination of the crystal structure of dipotassium dialuminum borate, K~2~Al~2~B~2~O~7~, a new non-linear optical material
Hu, Zhang-Gui; Higashiyama, T.; Yoshimura, M.; Mori, Y.; Sasaki, T.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 433–434; doi:10.1515/ncrs-1999-0415

data_8101619
_publ_section_title
;
 Redetermination of the crystal structure of dipotassium dialuminum
 borate, K~2~Al~2~B~2~O~7~, a new non-linear optical material
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              433
_journal_page_last               434
_journal_paper_doi               10.1515/ncrs-1999-0415
_journal_volume                  214
_journal_year                    1999
_chemical_formula_iupac          ' K2Al2B2O7 '
_chemical_formula_moiety         ' K2Al2B2O7 '
_chemical_formula_structural     ' K2 Al2 B2 O7 '
_chemical_formula_sum            'Al2 B2 K2 O7'
_chemical_formula_weight         265.78
_space_group_IT_number           150
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            3
_cell_length_a                   8.5657(9)
_cell_length_b                   8.5657(9)
_cell_length_c                   8.463(2)
_cell_measurement_temperature    297
_cell_volume                     537.7(1)
_exptl_crystal_density_diffrn    2.462
_refine_ls_R_factor_gt           0.018
_refine_ls_R_factor_obs          0.018
_refine_ls_wR_factor_obs         0.060
_cod_database_code               8101619
Crystal structure of dodeca-<i>μ-bromo-hexaaqua-1<i>κO </i>,2<i>κO</i>,3<i>κO</i>,4<i>κO</i>,5<i>κO </i>,6<i>κO</i>-octahedro-hexatantalum tetrabromozinkate dodecahydrate, [Ta~6~Br~12~(H~2~O)~6~][ZnBr~4~] · 12H~2~O
Vojnović, Marija; Bašic, Ivan; Brničević, Nevenka; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 435–436; doi:

data_8101620
_publ_section_title
;
Crystal structure of dodeca-<i>\m-bromo-hexaaqua-1<i>\kO
</i>,2<i>\kO</i>,3<i>\kO</i>,4<i>\kO</i>,5<i>\kO
</i>,6<i>\kO</i>-octahedro-hexatantalum tetrabromozinkate dodecahydrate, 
[Ta~6~Br~12~(H~2~O)~6~][ZnBr~4~] &#x00B7; 12H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              435
_journal_page_last               436
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'Ta6 Br12 O6 H12, Zn Br4, 12(H2 O)'
_chemical_formula_structural     '[Ta6 Br12 (H2 O)6][Zn Br4].12(H2 O)'
_chemical_formula_sum            'Br16 H36 O18 Ta6 Zn'
_chemical_formula_weight         2753.92
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.8276(4)
_cell_length_b                   20.8276(4)
_cell_length_c                   20.8276(4)
_cell_measurement_temperature    100(2)
_cell_volume                     9034.8(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    3.995
_refine_diff_density_rms         0.439
_refine_ls_R_factor_obs          0.0364
_cod_original_sg_symbol_H-M      'F d 3- m'
_cod_original_formula_sum        'H36 O18 Zn1 Br16 Ta6'
_cod_database_code               8101620
Crystal structure of hexapotassium pentaplumbide, K~6~Pb~5~
Fässler, Thomas F.; Kronseder, Christian; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 437–437; doi:

data_8101621
_publ_section_title
;
Crystal structure of hexapotassium pentaplumbide, K~6~Pb~5~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              437
_journal_page_last               437
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'K8 Pb6.67'
_chemical_formula_weight         1694.14
_chemical_name_common            'hexapotassium pentaplumbide'
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   6.7200(10)
_cell_length_b                   13.389(3)
_cell_length_c                   6.5200(10)
_cell_measurement_temperature    293(2)
_cell_volume                     586.63(18)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.795
_refine_ls_R_factor_obs          0.0383
_refine_ls_wR_factor_obs         0.1030
_cod_database_code               8101621
Crystal structure of sodium aluminum (monohydrogenmonophosphate- dihydrogenmonoborate-monophosphate), NaAl[BP~2~O~7~(OH)~3~]
Koch, Dunja; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 441–442; doi:

data_8101622
_publ_section_title
;
Crystal structure of sodium aluminum (monohydrogenmonophosphate-
dihydrogenmonoborate-monophosphate), NaAl[BP~2~O~7~(OH)~3~]
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              441
_journal_page_last               442
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'Na Al [B P2 O7 (O H)3]'
_chemical_formula_structural     'Na Al [B P2 O7 (O H)3]'
_chemical_formula_sum            'Al B H3 Na O10 P2'
_chemical_formula_weight         254.77
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 117.26(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.497(2)
_cell_length_b                   7.993(2)
_cell_length_c                   9.077(2)
_cell_measurement_temperature    293(2)
_cell_volume                     677.0(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.500
_refine_ls_R_factor_obs          0.0494
_refine_ls_wR_factor_obs         0.0771
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'H3 Al B Na O10 P2'
_cod_database_code               8101622
Refinement of the crystal structure of dimagnesium plumbide, Mg~2~Pb
Fässler, Thomas F.; Kronseder, Christian; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 438–438; doi:

data_8101623
_publ_section_title
;
Refinement of the crystal structure of dimagnesium plumbide, Mg~2~Pb
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              438
_journal_page_last               438
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     ' Mg2 Pb'
_chemical_formula_sum            'Mg8 Pb4'
_chemical_formula_weight         1023.24
_chemical_name_common            'dimagnesium plumbide'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   6.8150(10)
_cell_length_b                   6.8150(10)
_cell_length_c                   6.8150(10)
_cell_measurement_temperature    293(2)
_cell_volume                     316.52(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.368
_refine_ls_R_factor_obs          0.0143
_refine_ls_wR_factor_obs         0.0402
_cod_database_code               8101623
Crystal structure of ytterbium-rhodium-aluminium [1:1:1], YbRhAl
Cardoso Gil, Raul H.; Trovarelli, Octavio; Geibel, Christoph; Grin, Yuri; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 459–459; doi:

data_8101624
_publ_section_title
;
Crystal structure of ytterbium-rhodium-aluminium [1:1:1], YbRhAl
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              459
_journal_page_last               459
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     'Yb Rh Al'
_chemical_formula_sum            'Al Rh Yb'
_chemical_formula_weight         302.93
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.7610(10)
_cell_length_b                   4.1260(10)
_cell_length_c                   7.893(2)
_cell_measurement_temperature    293(2)
_cell_volume                     220.18(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    9.138
_refine_ls_R_factor_obs          0.0164
_refine_ls_wR_factor_obs         0.0355
_cod_database_code               8101624
Refinement of the crystal structure of dithallium(I) trioxotellurate (IV), Tl~2~TeO~3~
Frit, Bernard; Mercurio, Danièle; Thomas, Philippe; Champarnaud-Mesjard, Jean-Claude; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 439–440; doi:

data_8101625
_publ_section_title
;
Refinement of the crystal structure of dithallium(I) trioxotellurate
(IV), Tl~2~TeO~3~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              439
_journal_page_last               440
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     'Tl2 Te O3'
_chemical_formula_sum            'O3 Te Tl2'
_chemical_formula_weight         584.34
_space_group_IT_number           50
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2b'
_symmetry_space_group_name_H-M   'P b a n :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.600(10)
_cell_length_b                   11.078(6)
_cell_length_c                   5.2380(10)
_cell_measurement_temperature    293(2)
_cell_volume                     963.2(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    8.059
_exptl_crystal_density_meas      '8.06 (3)'
_refine_ls_R_factor_obs          0.0473
_refine_ls_wR_factor_obs         0.0903
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'orthorombic' was replaced with
'orthorhombic' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P b a n'
_cod_database_code               8101625
Crystal structure of discandium dodecanickel heptaphosphide, Sc~2~Ni~12~P~7~
Oryshchyn, S.; Babizhetsky, V.; Stojko, S.; Kuzma, Yu.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 428–428; doi:

data_8101626
_publ_section_title
;
Crystal structure of discandium dodecanickel heptaphosphide, Sc~2~Ni~12~P~7~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              428
_journal_page_last               428
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     'Sc2 Ni12 P7'
_chemical_formula_sum            'Ni12 P7 Sc2'
_chemical_formula_weight         1011.23
_space_group_IT_number           174
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.074(3)
_cell_length_b                   9.074(3)
_cell_length_c                   3.592(4)
_cell_volume                     256.1(5)
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    6.555(12)
_refine_ls_R_factor_obs          0.0266
_refine_ls_wR_factor_obs         0.0309
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-10
;
_cod_original_formula_sum        'P7 Sc2 Ni12'
_cod_database_code               8101626
Crystal structure of caesium iron(III) catena-[monohydrogenmonoborate- bis(monophosphate)], CsFe[BP~2~O~8~(OH)]
Engelhardt, Holger; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 443–444; doi:

data_8101627
_publ_section_title
;
Crystal structure of caesium iron(III) catena-[monohydrogenmonoborate-
bis(monophosphate)], CsFe[BP~2~O~8~(OH)]
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              443
_journal_page_last               444
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     'Cs Fe [B P2 O8 (O H)]'
_chemical_formula_sum            'B Cs Fe H O9 P2'
_chemical_formula_weight         406.52
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.58(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.351(2)
_cell_length_b                   8.631(4)
_cell_length_c                   9.763(2)
_cell_measurement_temperature    293(2)
_cell_volume                     769.0(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.511
_refine_ls_R_factor_obs          0.0238
_refine_ls_wR_factor_obs         0.0829
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'H B Cs Fe O9 P2'
_cod_database_code               8101627
Redetermination of the crystal structure of tetrasodium tetrahedro- tetrastannide, Na~4~Sn~4~ and tetrapotassium tetrahedro-tetrastannide, K~4~Sn~4~
Baitinger, M.; von Schnering, H. G.; Grin, Yu.; Kniep, R.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 453–454; doi:

data_8101628
_publ_section_title
;
Redetermination of the crystal structure of tetrasodium tetrahedro-
tetrastannide, Na~4~Sn~4~ and tetrapotassium tetrahedro-tetrastannide, 
K~4~Sn~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              453
_journal_page_last               454
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     'Na4 Sn4'
_chemical_formula_sum            'Na4 Sn4'
_chemical_formula_weight         2266.88
_chemical_name_common            'sodium stannide'
_space_group_IT_number           142
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.475(1)
_cell_length_b                   10.475(1)
_cell_length_c                   17.412(2)
_cell_volume                     1910.5(6)
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    1.9681(7)
_refine_ls_R_factor_obs          0.0580
_refine_ls_wR_factor_obs         0.0580
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-10
;
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_database_code               8101628