LMucko/crystallography-open-database huggingface dataset:
Crystal structure of dipotassium tetrathiomolybdate, K~2~MoS~4~
Emirdag-Eanes, Mehtap; Ibers, James A.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 484–484; doi:

data_8101140
_publ_section_title
;
Crystal structure of dipotassium tetrathiomolybdate, K~2~MoS~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              484
_journal_page_last               484
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'K2 Mo S4'
_chemical_formula_sum            'K2 Mo S4'
_chemical_formula_weight         302.38
_chemical_name_common            'dipotassium tetrathiomolybdate'
_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                   9.3203(12)
_cell_length_b                   6.8430(9)
_cell_length_c                   12.0806(15)
_cell_measurement_temperature    153(2)
_cell_volume                     770.49(17)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    2.607
_cod_database_code               8101140
Crystal structure of tricesium tetrathiovanadate(V), Cs~3~VS~4~, and of trirubidium tetrathiovanadate(V), Rb~3~VS~4~
Emirdag-Eanes, Mehtap; Ibers,James A.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 489–490; doi:

data_8101141
_publ_section_title
;
Crystal structure of tricesium tetrathiovanadate(V), Cs~3~VS~4~, and 
of trirubidium tetrathiovanadate(V), Rb~3~VS~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              489
_journal_page_last               490
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'Cs3 V S4'
_chemical_formula_sum            'Cs3 S4 V'
_chemical_formula_weight         577.91
_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                   9.7097(6)
_cell_length_b                   11.3627(7)
_cell_length_c                   9.6824(6)
_cell_measurement_temperature    153(2)
_cell_volume                     1068.24(11)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    3.593
_cod_database_code               8101141
Crystal structure of tricesium tetrathiovanadate(V), Cs~3~VS~4~, and of trirubidium tetrathiovanadate(V), Rb~3~VS~4~
Emirdag-Eanes, Mehtap; Ibers, James A.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 489–490; doi:

data_8101142
_publ_section_title
;
Crystal structure of tricesium tetrathiovanadate(V), Cs~3~VS~4~, and 
of trirubidium tetrathiovanadate(V), Rb~3~VS~4~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              489
_journal_page_last               490
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'Rb3 V S4'
_chemical_formula_sum            'Rb3 S4 V'
_chemical_formula_weight         435.59
_chemical_name_common            'Trirubidium tetrathiovanadate(V)'
_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                   9.3960(8)
_cell_length_b                   10.8892(9)
_cell_length_c                   9.3639(8)
_cell_measurement_temperature    153(2)
_cell_volume                     958.07(14)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    3.020
_cod_database_code               8101142
Crystal structure of pentamercury dialuminum octaselenide, Hg~5~Al~2~Se~8~
Krauß, G.; Krämer, V.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 498–498; doi:

data_8101143
_publ_section_title
;
Crystal structure of pentamercury dialuminum octaselenide, Hg~5~Al~2~Se~8~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              498
_journal_page_last               498
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'Hg5 Al2 Se8'
_chemical_formula_sum            'Al2 Hg5 Se8'
_chemical_formula_weight         1688.59
_space_group_IT_number           216
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   11.704(1)
_cell_length_b                   11.704
_cell_length_c                   11.704
_cell_measurement_temperature    293
_cell_volume                     1603.3(5)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    6.995
_cod_depositor_comments
;
Added _atom_site_type_symbol label and values. Antanas Vaitkus 2013-04-12
-------------------------------------------------------------------------------
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according
 to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary
 named 'cif_core.dic' version 2.4.1 from 2010-06-29 (4 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius
;
_cod_database_code               8101143
Crystal structure of strontium tantalum arsenide oxide, Sr~3~TaAs~3~O, containing the pseudo-tetrahedral anion TaAs~3~O^6‒^
Derrien, Gaëlle; Tillard, Monique; Belin, Claude; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 499–500; doi:

data_8101144
_publ_section_title
;
Crystal structure of strontium tantalum arsenide oxide, Sr~3~TaAs~3~O, 
containing the pseudo-tetrahedral anion TaAs~3~O^6--^
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              499
_journal_page_last               500
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'As12 O4 Sr12 Ta4'
_chemical_formula_structural     'Sr3  TaAs3  O'
_chemical_formula_sum            'As3 O Sr3 Ta'
_chemical_formula_weight         2738.28
_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                   6.398(2)
_cell_length_b                   10.685(3)
_cell_length_c                   12.966(2)
_cell_measurement_temperature    293(2)
_cell_volume                     886.4(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.130
_cod_original_formula_sum        'As3 O1 Sr3  Ta'
_cod_database_code               8101144
Crystal structure of palladium selenide, PdSe
Ijjaali, Ismail; Ibers, James A.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 485–486; doi:

data_8101145
_publ_section_title
;
Crystal structure of palladium selenide, PdSe
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              485
_journal_page_last               486
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'Pd Se'
_chemical_formula_sum            'Pd Se'
_chemical_formula_weight         185.36
_space_group_IT_number           135
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4c 2ab'
_symmetry_space_group_name_H-M   'P 42/m b c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            24
_cell_length_a                   11.5646(6)
_cell_length_b                   11.5646(6)
_cell_length_c                   6.9978(6)
_cell_measurement_temperature    153(2)
_cell_volume                     935.89(11)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    7.893
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8101145
Crystal structure of digadolinium orthosilicate telluride, Gd~2~(SiO~4~)Te
Ijjaali, Ismail; Ibers, James A.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 487–488; doi:

data_8101146
_publ_section_title
;
Crystal structure of digadolinium orthosilicate telluride, Gd~2~(SiO~4~)Te
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              487
_journal_page_last               488
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'Gd2 (SiO4)Te'
_chemical_formula_sum            'Gd2 O4 Si Te'
_chemical_formula_weight         534.19
_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            4
_cell_length_a                   6.1696(4)
_cell_length_b                   7.0575(5)
_cell_length_c                   11.0579(7)
_cell_measurement_temperature    153(2)
_cell_volume                     481.48(6)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    7.369
_cod_original_formula_sum        'Te Gd2 O4 Si'
_cod_database_code               8101146
Refinement of the crystal structure of monocalcium dialuminide digermanide, Ca[Al~2~Ge~2~]
Carrillo-Cabrera, Wilder; Cardoso Gil, Raul; Grin, Yuri; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 501–502; doi:

data_8101147
_publ_section_title
;
Refinement of the crystal structure of monocalcium dialuminide digermanide, 
Ca[Al~2~Ge~2~]
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              501
_journal_page_last               502
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'Ca Al2 Ge2'
_chemical_formula_sum            'Al2 Ca Ge2'
_chemical_formula_weight         239.22
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   4.1759(3)
_cell_length_b                   4.1759(3)
_cell_length_c                   7.1767(4)
_cell_measurement_temperature    293(2)
_cell_volume                     108.382(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.665
_cod_database_code               8101147
Refinement of the crystal structure of iron dibromide, FeBr~2~
Haberecht, Jörg; Borrmann, Horst; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 510–510; doi:

data_8101148
_publ_section_title
;
Refinement of the crystal structure of iron dibromide, FeBr~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              510
_journal_page_last               510
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         FeBr2
_chemical_formula_structural     'Fe Br2'
_chemical_formula_sum            'Br2 Fe'
_chemical_formula_weight         215.67
_chemical_name_common            'Iron dibromide'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   3.7762(10)
_cell_length_b                   3.7762(10)
_cell_length_c                   6.2270(10)
_cell_measurement_temperature    293(2)
_cell_volume                     76.90(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.657
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8101148
Crystal structure of hexabarium pentamagnesium trilithium dodecagermanide, Ba~6~Mg~4.9~Li~3.1~Ge~12~
Zürcher, Fabio; Nesper, Reinhard; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 505–506; doi:

data_8101149
_publ_section_title
;
Crystal structure of hexabarium pentamagnesium trilithium dodecagermanide, 
Ba~6~Mg~4.9~Li~3.1~Ge~12~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              505
_journal_page_last               506
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         Ba6Mg4.9Li3.1Ge12
_chemical_formula_structural     'Ba6 Mg4.9 Li3.1 Ge12 '
_chemical_formula_sum            'Ba6 Ge12 Li3.1 Mg4.9'
_chemical_formula_weight         1835.75
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.89(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   12.320(6)
_cell_length_b                   4.626(2)
_cell_length_c                   11.499(6)
_cell_measurement_temperature    298(2)
_cell_volume                     654.98(1)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    4.654
_refine_ls_R_factor_obs          0.0195
_refine_ls_wR_factor_obs         0.0424
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               8101149
Crystal structure of octacalcium dimagnesium monolithium octasilicide, Ca~8~Mg~2.0~Li~1.0~Si~8~, and of octacalcium dimagnesium monolithium octagermanide, Ca~8~Mg~1.82~Li~1.18~Ge~8~
Zürcher, Fabio; Nesper, Reinhard; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 507–509; doi:

data_8101150
_publ_section_title
;
Crystal structure of octacalcium dimagnesium monolithium octasilicide, 
Ca~8~Mg~2.0~Li~1.0~Si~8~, and of octacalcium dimagnesium monolithium 
octagermanide, Ca~8~Mg~1.82~Li~1.18~Ge~8~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              507
_journal_page_last               509
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         Ca8Mg2LiSi8
_chemical_formula_structural     'Ca8 Mg2 Li Si8'
_chemical_formula_sum            'Ca8 Li Mg2 Si8'
_chemical_formula_weight         601.35
_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                   21.707(4)
_cell_length_b                   4.4827(9)
_cell_length_c                   18.456(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1795.9(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.224
_cod_original_formula_sum        'Ca8 Li1.0 Mg2.0 Si8'
_cod_database_code               8101150
Crystal structure of octacalcium dimagnesium monolithium octasilicide, Ca~8~Mg~2.0~Li~1.0~Si~8~, and of octacalcium dimagnesium monolithium octagermanide, Ca~8~Mg~1.82~Li~1.18~Ge~8~
Zürcher, Fabio; Nesper, Reinhard; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 507–509; doi:

data_8101151
_publ_section_title
;
Crystal structure of octacalcium dimagnesium monolithium octasilicide, 
Ca~8~Mg~2.0~Li~1.0~Si~8~, and of octacalcium dimagnesium monolithium 
octagermanide, Ca~8~Mg~1.82~Li~1.18~Ge~8~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              507
_journal_page_last               509
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         Ca8Mg1.8Li1.2Ge8
_chemical_formula_structural     'Ca8 Mg1.8 Li1.2 Ge8'
_chemical_formula_sum            'Ca8 Ge8 Li1.18 Mg1.82'
_chemical_formula_weight         953.88
_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                   21.998(2)
_cell_length_b                   4.4738(8)
_cell_length_c                   18.560(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1826.6(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.469
_cod_database_code               8101151
Crystal structure of barium dimagnesium dilithium disilicide, BaMg~2~Li~2~Si~2~, and of barium dimagnesium dilithium digermanide, BaLi~2~Mg~2~Ge~2~
Zürcher, Fabio; Wengert, Steffen; Nesper, Reinhard; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 503–504; doi:

data_8101152
_publ_section_title
;
Crystal structure of barium dimagnesium dilithium disilicide, 
BaMg~2~Li~2~Si~2~, and of barium dimagnesium dilithium digermanide, 
BaLi~2~Mg~2~Ge~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              503
_journal_page_last               504
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         BaMg2Li2Si2
_chemical_formula_structural     'BaMg2 Li2 Si2'
_chemical_formula_sum            'Ba Li2 Mg2 Si2'
_chemical_formula_weight         256.02
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   4.578(2)
_cell_length_b                   4.578(2)
_cell_length_c                   26.052(13)
_cell_measurement_temperature    293(2)
_cell_volume                     472.9(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.697
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               8101152
Crystal structure of barium dimagnesium dilithium disilicide, BaMg~2~Li~2~Si~2~, and of barium dimagnesium dilithium digermanide, BaLi~2~Mg~2~Ge~2~
Zürcher, Fabio; Wengert, Steffen; Nesper, Reinhard; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 503–504; doi:

data_8101153
_publ_section_title
;
Crystal structure of barium dimagnesium dilithium disilicide, BaMg~2~Li~2~Si~2~, 
and of barium dimagnesium dilithium digermanide, BaLi~2~Mg~2~Ge~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              503
_journal_page_last               504
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         BaMg2Li2Ge2
_chemical_formula_sum            'Ba Ge2 Li2 Mg2'
_chemical_formula_weight         345.02
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   4.607(2)
_cell_length_b                   4.607(2)
_cell_length_c                   26.14(1)
_cell_measurement_temperature    298(2)
_cell_volume                     480.5(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    3.577
_refine_ls_R_factor_obs          0.0189
_refine_ls_wR_factor_obs         0.0535
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               8101153
Crystal structure of tetrarubidium dichloride monooxide, Rb~4~(Cl~2~O)
Mudring, Anja-Verena; Jansen, Martin; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 483–483; doi:

data_8101154
_publ_section_title
;
Crystal structure of tetrarubidium dichloride monooxide, Rb~4~(Cl~2~O)
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              483
_journal_page_last               483
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         Rb4Cl2O
_chemical_formula_structural     'Rb4(Cl2 O)'
_chemical_formula_sum            'Cl2 O Rb4'
_chemical_formula_weight         429
_chemical_name_common            'rubidium chloride oxide'
_space_group_IT_number           220
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.521(3)
_cell_length_b                   9.521(3)
_cell_length_c                   9.521(3)
_cell_measurement_temperature    293(2)
_cell_volume                     863.1(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.573
_exptl_crystal_size_mid          0.08
_refine_diff_density_rms         0.096
_cod_original_formula_sum        'O Cl2 Rb4'
_cod_database_code               8101154