LMucko/crystallography-open-database huggingface dataset:
Crystal structure of N1-(1-oxohexahydro-1λ^6^-thiopyran-1-yliden)- 1-benzenesulfonamide, C~12~H~17~NO~3~S~2~
Creaser, S. P.; Pyke, S. M.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 447–448; doi:

data_8101041
_publ_section_title
;
Crystal structure of N1-(1-oxohexahydro-1\l^6^-thiopyran-1-yliden)-
1-benzenesulfonamide, C~12~H~17~NO~3~S~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              447
_journal_page_last               448
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C12 H17 N O3 S2 '
_chemical_formula_sum            'C12 H17 N O3 S2'
_chemical_formula_weight         287.39
_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
_cell_angle_beta                 98.33(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.469(4)
_cell_length_b                   12.193(3)
_cell_length_c                   18.200(4)
_cell_measurement_temperature    293
_cell_volume                     1420.4(9)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.344
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C12 H17 N O3 S2 '
_cod_database_code               8101041
Crystal structure of N1-(4,4-dimethoxyhexahydro-1λ^6^-thiopyran- 1-yliden)-4-methyl-1-benzenesulfonamide, C~14~H~21~NO~4~S~2~
Creaser, S. P.; Pyke, S. M.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 449–450; doi:

data_8101042
_publ_section_title
;
Crystal structure of N1-(4,4-dimethoxyhexahydro-1\l^6^-thiopyran-
1-yliden)-4-methyl-1-benzenesulfonamide, C~14~H~21~NO~4~S~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              449
_journal_page_last               450
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C14 H21 N O4 S2 '
_chemical_formula_sum            'C14 H21 N O4 S2'
_chemical_formula_weight         331.44
_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
_cell_angle_beta                 107.24(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   34.05(1)
_cell_length_b                   7.492(4)
_cell_length_c                   12.870(8)
_cell_measurement_temperature    293
_cell_volume                     3135(3)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.404
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C14 H21 N O4 S2 '
_cod_database_code               8101042
Crystal structure of N1-(hexahydro-1λ^6^-thiopyran-1-yliden)- 1-benzenesulfonamide, C~12~H~17~NO~2~S~2~
Creaser, S. P.; Pyke, S. M.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 445–446; doi:

data_8101043
_publ_section_title
;
Crystal structure of N1-(hexahydro-1\l^6^-thiopyran-1-yliden)-
1-benzenesulfonamide, C~12~H~17~NO~2~S~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              445
_journal_page_last               446
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C12 H17 N O2 S2'
_chemical_formula_weight         271.39
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.90(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.953(9)
_cell_length_b                   16.135(8)
_cell_length_c                   9.049(4)
_cell_measurement_temperature    113
_cell_volume                     1263(1)
_diffrn_ambient_temperature      113
_exptl_crystal_density_diffrn    1.427
_cod_original_sg_symbol_H-M      P21
_cod_original_formula_sum        'C12 H17 N O2 S2 '
_cod_database_code               8101043
Crystal structure of N1-(3,3-dimethyl-9-oxo-1,5-dioxa-9λ^6^- thiaspiro[5.5]-undec-9-yliden)-1-benzenesulfonamide, C~17~H~25~NO~4~S~2~
Creaser, S. P.; Pyke, S. M.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 451–453; doi:

data_8101044
_publ_section_title
;
Crystal structure of N1-(3,3-dimethyl-9-oxo-1,5-dioxa-9\l^6^-
thiaspiro[5.5]-undec-9-yliden)-1-benzenesulfonamide, C~17~H~25~NO~4~S~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              451
_journal_page_last               453
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C17 H25 N O4 S2'
_chemical_formula_weight         371.51
_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
_cell_angle_beta                 96.18(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.349(4)
_cell_length_b                   10.934(3)
_cell_length_c                   29.48(2)
_cell_measurement_temperature    223
_cell_volume                     3637(2)
_diffrn_ambient_temperature      223
_exptl_crystal_density_diffrn    1.357
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C17 H25 N O4 S2 '
_cod_database_code               8101044
Crystal structure of 11,12-dicyano-9,10-ethano-9,10-dihydroanthracene— acetone (2/1), (C~34~H~20~N~20~)~2~ · C~3~H~6~O
Fruzinski, Andrzej; Karolak-Wojciechowska, Janina; Alibert-Franco, Sandrin; Santelli-Rouvier, Cristian; Barbe, Jaques; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 471–473; doi:

data_8101045
_publ_section_title
;
Crystal structure of 11,12-dicyano-9,10-ethano-9,10-dihydroanthracene---
acetone (2/1), (C~34~H~20~N~20~)~2~ &#x00B7; C~3~H~6~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              471
_journal_page_last               473
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C34H20N2O * 0.5 C3H6O '
_chemical_formula_structural     'C68 H40 N40 .  C3 H6 O'
_chemical_formula_sum            'C71 H46 N4 O3'
_chemical_formula_weight         501.56
_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                 108.89(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.726(2)
_cell_length_b                   34.928(7)
_cell_length_c                   15.263(3)
_cell_measurement_temperature    293(2)
_cell_volume                     5410.1(18)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.232
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        ' C71 H46 N4 O3'
_cod_database_code               8101045
Crystal structure of tris(tetramethylammonium) dibismuth nonaiodide, [N(CH~3~)~4~]~3~Bi~2~I~9~
Feldmann, Claus; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 465–466; doi:

data_8101046
_publ_section_title
;
Crystal structure of tris(tetramethylammonium) dibismuth nonaiodide, 
[N(CH~3~)~4~]~3~Bi~2~I~9~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              465
_journal_page_last               466
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     '[N(C H3)4]3 Bi2 I9'
_chemical_formula_sum            'C12 H36 Bi2 I9 N3'
_chemical_formula_weight         1746.21
_chemical_name_common            'tetramethylammonium bismuth iodide'
_space_group_IT_number           159
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   9.908(1)
_cell_length_b                   9.908(1)
_cell_length_c                   23.420(1)
_cell_measurement_temperature    293(2)
_cell_volume                     1991.0(1)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.913
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-07-12

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_original_formula_sum        'N3 C12 H36 Bi2 I9'
_cod_database_code               8101046
Crystal structure of bis(trimethylamine) dichlorodeuteroalane, [N(CH~3~)~3~]~2~Cl~2~DAl
Torrison, L.; Groy, T. L.; Kouvetakis, J.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 467–468; doi:

data_8101047
_publ_section_title
;
Crystal structure of bis(trimethylamine) dichlorodeuteroalane, 
[N(CH~3~)~3~]~2~Cl~2~DAl
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              467
_journal_page_last               468
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C6 H19 Al Cl2 N2'
_chemical_formula_sum            'C6 H19 Al Cl2 N2'
_chemical_formula_weight         217.11
_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                   9.3016(8)
_cell_length_b                   10.6260(9)
_cell_length_c                   12.1986(10)
_cell_measurement_temperature    298(2)
_cell_volume                     1205.70(18)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.196
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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               8101047
Crystal structure of bromotri(phenyl)phosphineselenidegold(I), (C~6~H~7~) ~3~PSeAuBr
Hussain, M. S.; Isab, A. A.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 479–480; doi:

data_8101048
_publ_section_title
;
Crystal structure of bromotri(phenyl)phosphineselenidegold(I), (C~6~H~7~)
~3~PSeAuBr
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              479
_journal_page_last               480
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         '[(phenyl)~3~PSe-AuBr]'
_chemical_formula_structural     '[(phenyl)3 PSeAuBr]'
_chemical_formula_sum            'C18 H15 Au Br P Se'
_chemical_formula_weight         618.11
_chemical_name_common            '[(phenyl)~3~PSe-AuBr]'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.17(3)
_cell_angle_beta                 74.97(3)
_cell_angle_gamma                80.39(3)
_cell_formula_units_Z            2
_cell_length_a                   9.2700(19)
_cell_length_b                   9.3566(19)
_cell_length_c                   10.827(2)
_cell_measurement_temperature    298(2)
_cell_volume                     875.2(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    2.346
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_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 (6 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8101048
Crystal structure of 1-amino-2-thionebenzothiazole, C~7~H~6~N~2~S~2~
Tsanaktsidis, J.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 443–444; doi:

data_8101049
_publ_section_title
;
Crystal structure of 1-amino-2-thionebenzothiazole, C~7~H~6~N~2~S~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              443
_journal_page_last               444
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C7 H6 N2 S2 '
_chemical_formula_structural     'C7 H6 N2 S2'
_chemical_formula_sum            'C7 H6 N2 S2'
_chemical_formula_weight         182.26
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.89(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.317(2)
_cell_length_b                   13.448(5)
_cell_length_c                   10.988(6)
_cell_measurement_temperature    293
_cell_volume                     783.8(6)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.544
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C7 H6 N2 S2 '
_cod_database_code               8101049
Crystal structure of N,N-dimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]- benzodiazepin-5-amine, C~18H~17N~5~
Borassi, A.; Di Braccio, M.; Grossi, G. C.; Izzo, G.; Mugnoli, A.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 474–476; doi:

data_8101050
_publ_section_title
;
Crystal structure of N,N-dimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]-
benzodiazepin-5-amine, C~18H~17N~5~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              474
_journal_page_last               476
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'C18 H17 N5'
_chemical_formula_sum            'C18 H17 N5'
_chemical_formula_weight         303.37
_chemical_melting_point          452
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.769(5)
_cell_length_b                   9.500(3)
_cell_length_c                   18.916(8)
_cell_measurement_temperature    294(2)
_cell_volume                     1575.8(12)
_diffrn_ambient_temperature      294(2)
_exptl_crystal_density_diffrn    1.279
_cod_database_code               8101050
Crystal structure of catena-diaquadichloro-μ~2~-(methylglycine-O,O')- manganese(II), C~3~H~11~Cl~2~MnNO~4~
Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 419–420; doi:

data_8101051
_publ_section_title
;
Crystal structure of catena-diaquadichloro-\m~2~-(methylglycine-O,O')-
manganese(II), C~3~H~11~Cl~2~MnNO~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              419
_journal_page_last               420
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C3 H11 Cl2 Mn N O4'
_chemical_formula_weight         250.97
_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                 95.83(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.314(8)
_cell_length_b                   5.7765(10)
_cell_length_c                   18.680(6)
_cell_measurement_temperature    293(2)
_cell_volume                     892.4(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.868
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8101051
Crystal structure of dimethyl (1R*,2R*,3S*,4R*,6R*,7R*,9R*,13R*)-2, 13-dibromo-6-methoxy-5-oxatetracyclo[7.4.0.0^1,4^.0^3,7^]tridecane- 2,3-dicarboxylate, C~17~H~22~Br~2~O~6~
Peters, Eva-Maria; Peters, Karl; Neumann, Matthias; Tochtermann, Werner; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 469–470; doi:

data_8101052
_publ_section_title
;
Crystal structure of dimethyl (1R*,2R*,3S*,4R*,6R*,7R*,9R*,13R*)-2,
13-dibromo-6-methoxy-5-oxatetracyclo[7.4.0.0^1,4^.0^3,7^]tridecane-
2,3-dicarboxylate, C~17~H~22~Br~2~O~6~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              469
_journal_page_last               470
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C17 H22 Br2 O6'
_chemical_formula_weight         482.17
_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                 118.659(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.207(1)
_cell_length_b                   14.060(1)
_cell_length_c                   12.402(1)
_cell_measurement_temperature    293(2)
_cell_volume                     1867.8(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.715
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8101052
Crystal structure of acetato-aqua-[N,N'-bis(4-methoxy-salicylidene) ethane-1,2-diaminato]-manganese(III) hydrate, C~20~H~23~MnN~2~O~7~ · H~2~O
Pauly, J.; Winter, M.; Hegetschweiler, K.; Hazenkamp, M. F.; Bachmann, F.; Dannacher, J.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 477–478; doi:

data_8101053
_publ_section_title
;
Crystal structure of acetato-aqua-[N,N'-bis(4-methoxy-salicylidene)
ethane-1,2-diaminato]-manganese(III) hydrate, C~20~H~23~MnN~2~O~7~ 
&#x00B7; H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              477
_journal_page_last               478
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C20 H23 Mn N2 O8'
_chemical_formula_sum            'C20 H23 Mn N2 O8'
_chemical_formula_weight         476.36
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.158(4)
_cell_length_b                   13.915(4)
_cell_length_c                   24.747(5)
_cell_measurement_temperature    293(2)
_cell_volume                     4186.7(21)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.511
_refine_ls_R_factor_obs          0.0566
_refine_ls_wR_factor_obs         0.1128
_cod_database_code               8101053
Crystal structure of dicesium rubidium auride oxide, Cs~2~RbAuO
Mudring, Anja-Verena; Jansen, Martin; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 325–325; doi:

data_8101054
_publ_section_title
;
Crystal structure of dicesium rubidium auride oxide, Cs~2~RbAuO
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              325
_journal_page_last               325
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         Cs2RbAuO
_chemical_formula_structural     (RbCs2)AuO
_chemical_formula_sum            'Au Cs2 O Rb'
_chemical_formula_weight         564.24
_chemical_name_common            'cesium rubidium auride oxide'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   7.714(2)
_cell_length_b                   7.714(2)
_cell_length_c                   7.049(1)
_cell_measurement_temperature    293(2)
_cell_volume                     363.26(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.159
_cod_original_formula_sum        'O Rb Cs2 Au'
_cod_database_code               8101054
Crystal structure of sodium aurate(III), NaAuO~2~
Mudring, Anja-Verena; Jansen, Martin; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 326–326; doi:

data_8101055
_publ_section_title
;
Crystal structure of sodium aurate(III), NaAuO~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              326
_journal_page_last               326
_journal_volume                  216
_journal_year                    2001
_chemical_formula_moiety         'Na Au O2'
_chemical_formula_structural     'Na Au O2'
_chemical_formula_sum            'Au Na O2'
_chemical_formula_weight         252.0
_chemical_name_common            sodiumoxoaurate(III)
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.8956(9)
_cell_length_b                   11.373(4)
_cell_length_c                   5.685(2)
_cell_measurement_temperature    293(2)
_cell_volume                     251.9(1)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.64
_pd_proc_ls_prof_R_factor        0.09237
_pd_proc_ls_prof_wR_factor       0.12888
_cod_original_formula_sum        'Na Au O2'
_cod_database_code               8101055
_pd_proc_ls_prof_r_bragg         0.08406