LMucko/crystallography-open-database huggingface dataset:
Crystal structure of tetrakis(N,N-dimethylacetamide-O)borane tris (dibromoiodide), {B[CH~3~CON(CH~3~)~2~)]~4~}(Br~2~I)~3~
Bekaert, A.; Barberan, O.; Kaloun, E. B.; Rabhi, C.; Danan, A.; Brion, J. D.; Lemoine, P.; Viossat, B.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 123–124; doi:

data_8100283
_publ_section_title
;
Crystal structure of tetrakis(N,N-dimethylacetamide-O)borane tris
(dibromoiodide), {B[CH~3~CON(CH~3~)~2~)]~4~}(Br~2~I)~3~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              123
_journal_page_last               124
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'B[(CH3)2 N(CCH3)O]4 (Br2 I)3'
_chemical_formula_sum            'C16 H36 B Br6 I3 N4 O4'
_chemical_formula_weight         1219.46
_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            4
_cell_length_a                   13.032(1)
_cell_length_b                   13.032(1)
_cell_length_c                   21.119(1)
_cell_measurement_temperature    180(2)
_cell_volume                     3586.6(4)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    2.258
_exptl_crystal_density_meas      2.24(2)
_cod_original_sg_symbol_H-M      'P42/m b c'
_cod_original_formula_sum        'C16 H36 B1 Br6 I3 N4 O4'
_cod_database_code               8100283
Crystal structure of tris(N-(n-butyl)-4-methoxy-2-hydroxybenzaldimine)- tris(nitrato)europium(III), Eu(LH)~3~(NO~3~)~3~
Van Meervelt, Luc; Uytterhoeven, Koen; Van Deun, Rik; Moors, Dries; Binnemans, Koen; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 118–120; doi:

data_8100284
_publ_section_title
;
Crystal structure of tris(N-(n-butyl)-4-methoxy-2-hydroxybenzaldimine)-
tris(nitrato)europium(III), Eu(LH)~3~(NO~3~)~3~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              118
_journal_page_last               120
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C36 H51 Eu N6 O15'
_chemical_formula_structural     '[Eu(LH)3 (NO3)3]'
_chemical_formula_sum            'C36 H51 Eu N6 O15'
_chemical_formula_weight         959.79
_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                98.580(10)
_cell_angle_beta                 98.460(10)
_cell_angle_gamma                92.52(2)
_cell_formula_units_Z            2
_cell_length_a                   11.426(3)
_cell_length_b                   13.842(3)
_cell_length_c                   14.080(3)
_cell_measurement_temperature    289(2)
_cell_volume                     2173.0(9)
_diffrn_ambient_temperature      289(2)
_exptl_crystal_density_diffrn    1.467
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P1-
_cod_original_formula_sum        'C36 H51 Eu1 N6 O15'
_cod_database_code               8100284
Crystal structure of bis(2-N,N-dimethylamino-6-methylpyridine-5-yl) methane, C~17~H~24~N~4~
Brunner, H.; Köllnberger, A.; Zabel, M.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 125–126; doi:

data_8100285
_publ_section_title
;
Crystal structure of bis(2-N,N-dimethylamino-6-methylpyridine-5-yl)
methane, C~17~H~24~N~4~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              125
_journal_page_last               126
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C17 H24 N4'
_chemical_formula_sum            'C17 H24 N4'
_chemical_formula_weight         284.40
_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                 102.505(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.0348(11)
_cell_length_b                   7.7854(5)
_cell_length_c                   19.1656(19)
_cell_measurement_temperature    173(1)
_cell_volume                     1607.5(3)
_diffrn_ambient_temperature      173(1)
_exptl_crystal_density_diffrn    1.175
_refine_diff_density_rms         0.047
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100285
Refinement of the crystal structure of tris(perfluorophenyl)arsine, C~18~F~15~As, at 173 K
Mahalakshmi, H.; Jain, V. K.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 67–68; doi:

data_8100286
_publ_section_title
;
Refinement of the crystal structure of tris(perfluorophenyl)arsine, 
C~18~F~15~As, at 173 K
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              67
_journal_page_last               68
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C18 As F15 '
_chemical_formula_structural     ' C18 F15 As '
_chemical_formula_sum            'C18 As F15'
_chemical_formula_weight         576.10
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.75(5)
_cell_angle_beta                 107.08(5)
_cell_angle_gamma                109.81(4)
_cell_formula_units_Z            2
_cell_length_a                   10.851(6)
_cell_length_b                   11.012(5)
_cell_length_c                   8.837(5)
_cell_measurement_temperature    173
_cell_volume                     887(1)
_exptl_crystal_density_diffrn    2.156
_cod_original_formula_sum        'C18 As1 F15 '
_cod_database_code               8100286
Crystal structure of tris(perfluorophenyl)bismuthine hemi-dioxane solvate, C~18~F~15~Bi · 0.5C~4~H~8~O~2~
Mahalakshmi, H.; Jain, V. K.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 69–70; doi:

data_8100287
_publ_section_title
;
Crystal structure of tris(perfluorophenyl)bismuthine hemi-dioxane 
solvate, C~18~F~15~Bi &#x00B7; 0.5C~4~H~8~O~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              69
_journal_page_last               70
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C20 H4 Bi F15 O'
_chemical_formula_structural     ' C18 F15 Bi &#x00B7; 0.5(C4 H8 O2) '
_chemical_formula_sum            'C20 H4 Bi F15 O'
_chemical_formula_weight         754.21
_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                 98.26(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.681(5)
_cell_length_b                   8.130(9)
_cell_length_c                   16.347(8)
_cell_measurement_temperature    173
_cell_volume                     2062(2)
_diffrn_ambient_temperature      173
_diffrn_orient_matrix_UB_11      0.01033
_diffrn_orient_matrix_UB_12      -0.11391
_diffrn_orient_matrix_UB_13      -0.01946
_diffrn_orient_matrix_UB_21      0.00934
_diffrn_orient_matrix_UB_22      0.04480
_diffrn_orient_matrix_UB_23      -0.05499
_diffrn_orient_matrix_UB_31      0.06292
_diffrn_orient_matrix_UB_32      0.01205
_diffrn_orient_matrix_UB_33      0.02045
_exptl_crystal_density_diffrn    2.429
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C20 H4 Bi1 F15 O1'
_cod_database_code               8100287
Crystal structure of tris(perfluorophenyl)stibine, C~18~F~15~Sb
Mahalakshmi, H.; Jain, V. K.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 71–72; doi:

data_8100288
_publ_section_title
;
Crystal structure of tris(perfluorophenyl)stibine, C~18~F~15~Sb
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              71
_journal_page_last               72
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C18 F15 Sb '
_chemical_formula_structural     ' C18 F15 Sb '
_chemical_formula_sum            'C18 F15 Sb'
_chemical_formula_weight         622.92
_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                 93.00(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9402(8)
_cell_length_b                   20.390(6)
_cell_length_c                   15.024(3)
_cell_measurement_temperature    173
_cell_volume                     1817.2(6)
_diffrn_ambient_temperature      173
_diffrn_orient_matrix_UB_11      0.12799
_diffrn_orient_matrix_UB_12      -0.03052
_diffrn_orient_matrix_UB_13      -0.00983
_diffrn_orient_matrix_UB_21      0.01954
_diffrn_orient_matrix_UB_22      0.02032
_diffrn_orient_matrix_UB_23      -0.05972
_diffrn_orient_matrix_UB_31      0.10795
_diffrn_orient_matrix_UB_32      0.03257
_diffrn_orient_matrix_UB_33      0.02791
_exptl_crystal_density_diffrn    2.277
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C18 F15 Sb1 '
_cod_database_code               8100288
Crystal structure of chloro[tris(2-thienyl)phosphine]gold(I), C~12~H~9~AuClPS~3~
Ho, S. Y.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 73–74; doi:

data_8100289
_publ_section_title
;
Crystal structure of chloro[tris(2-thienyl)phosphine]gold(I), C~12~H~9~AuClPS~3~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              73
_journal_page_last               74
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C12 H9 AuClPS3'
_chemical_formula_sum            'C12 H9 Au Cl P S3'
_chemical_formula_weight         512.76
_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                112.926(1)
_cell_angle_beta                 102.513(1)
_cell_angle_gamma                98.132(1)
_cell_formula_units_Z            2
_cell_length_a                   9.0698(5)
_cell_length_b                   9.1073(5)
_cell_length_c                   10.4612(6)
_cell_measurement_temperature    203(2)
_cell_volume                     752.04(7)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    2.264
_cod_original_formula_sum        'C12 H9 Au1 Cl1 P1 S3'
_cod_database_code               8100289
Crystal structure of 3,6-diphenylpyrrolo[3,4-c]pyrrole-1,4-dione—3, 6-bis(4-tert-butylphenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (1:1), (C~18~H~12~N~2~O~2~) · (C~26~H~28~N~2~O~2~)
Mizuguchi, Jin; Shikamori, Hirofumi; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 127–128; doi:

data_8100290
_publ_section_title
;
Crystal structure of 3,6-diphenylpyrrolo[3,4-c]pyrrole-1,4-dione---3,
6-bis(4-tert-butylphenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione 
(1:1), (C~18~H~12~N~2~O~2~) &#x00B7; (C~26~H~28~N~2~O~2~)
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              127
_journal_page_last               128
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         '(C18 H12 N2 O2)(C26 H28 N2 O2)'
_chemical_formula_sum            'C44 H40 N4 O4'
_chemical_formula_weight         688.82
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.48(2)
_cell_angle_beta                 82.43(2)
_cell_angle_gamma                87.03(2)
_cell_formula_units_Z            1
_cell_length_a                   6.565(1)
_cell_length_b                   7.253(2)
_cell_length_c                   18.355(4)
_cell_measurement_temperature    93.2
_cell_volume                     860.2(3)
_exptl_crystal_density_diffrn    1.330
_cod_original_formula_sum        'C44 H40 N4 O4 '
_cod_database_code               8100290
Crystal structure of (2E)-7-chloro-2-(7-chloro-3,4-dihydro-3-oxo-2H- 1,4-benzothiazin-2-ylidene)-2H-1,4-benzothiazine-3(4H)-one, C~16~H~8~Cl~2~N~2~O~2~S~2~, at 93 K
Senju, Takatoshi; Mizuguchi, Jin; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 129–130; doi:

data_8100291
_publ_section_title
;
Crystal structure of (2E)-7-chloro-2-(7-chloro-3,4-dihydro-3-oxo-2H-
1,4-benzothiazin-2-ylidene)-2H-1,4-benzothiazine-3(4H)-one, 
C~16~H~8~Cl~2~N~2~O~2~S~2~, at 93 K
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              129
_journal_page_last               130
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C16 H8 Cl2 N2 O2 S2 '
_chemical_formula_sum            'C16 H8 Cl2 N2 O2 S2'
_chemical_formula_weight         395.28
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.040(9)
_cell_angle_beta                 99.38(1)
_cell_angle_gamma                94.19(1)
_cell_formula_units_Z            1
_cell_length_a                   4.5934(6)
_cell_length_b                   7.8303(8)
_cell_length_c                   10.403(1)
_cell_measurement_temperature    93(2)
_cell_volume                     367.77(8)
_exptl_crystal_density_diffrn    1.785
_cod_database_code               8100291
Crystal structure of tetraaqua-di(1-carboxamide-1,1-dicyanomethanide)- manganese(II) dihydrate, Mn[C(CN)~2~CONH~2~]~2~(H~2~O)~4~ · 2H~2~O
Meng, Ni; Wu, Chang-Ju; Lu, Jian-Jun; Shi, Jing-Min; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 97–98; doi:

data_8100292
_publ_section_title
;
Crystal structure of tetraaqua-di(1-carboxamide-1,1-dicyanomethanide)-
manganese(II) dihydrate, Mn[C(CN)~2~CONH~2~]~2~(H~2~O)~4~ &#x00B7; 2H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              97
_journal_page_last               98
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C8 H16 Mn N6 O8'
_chemical_formula_sum            'C8 H16 Mn N6 O8'
_chemical_formula_weight         379.21
_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                90.00
_cell_angle_beta                 108.749(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.5162(10)
_cell_length_b                   7.4299(8)
_cell_length_c                   12.1866(13)
_cell_measurement_temperature    293(2)
_cell_volume                     815.92(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.544
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C8 H16 Mn1 N6 O8'
_cod_database_code               8100292
Reinvestigation of the crystal structure of barium aluminum borate difluoride, BaAlBO~3~F~2~, a new nonlinear optical material
Hu, Zhang-Gui; Maramatsu, Kenichi; Kanehisa, N.; Yoshimura, M.; Mori, Y.; Sasaki, T.; Kai, Y.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 1–2; doi:10.1524/ncrs.2003.218.jg.1

data_8100293
_publ_section_title
;
Reinvestigation of the crystal structure of barium aluminum borate 
difluoride, BaAlBO~3~F~2~, a new nonlinear optical material
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              1
_journal_page_last               2
_journal_paper_doi               10.1524/ncrs.2003.218.jg.1
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'BaAlBO3F2 '
_chemical_formula_sum            'Al B Ba F2 O3'
_chemical_formula_weight         261.12
_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            2
_cell_length_a                   4.8879(6)
_cell_length_b                   4.8879(6)
_cell_length_c                   9.403(1)
_cell_measurement_temperature    296
_cell_volume                     194.54(3)
_exptl_crystal_density_diffrn    4.457
_cod_original_formula_sum        'Al1 B1 Ba1 O3 F2 '
_cod_database_code               8100293
Crystal structure of potassium calcium bismuthide, KCaBi
Hirt, Holger; Deiseroth, Hans Jörg; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 5–5; doi:

data_8100294
_publ_section_title
;
Crystal structure of potassium calcium bismuthide, KCaBi
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              5
_journal_page_last               5
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     KCaBi
_chemical_formula_sum            'Bi Ca K'
_chemical_formula_weight         288.16
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.3840(10)
_cell_length_b                   5.3840(10)
_cell_length_c                   8.380(2)
_cell_measurement_temperature    293(2)
_cell_volume                     242.91(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.940
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Bi1 Ca1 K1'
_cod_database_code               8100294
Refinement of the crystal structure of dilithium zirconium hexafluoride, Li~2~ZrF~6~, synthesized at 11 GPa and 1063 K
Grzechnik, Andrzej; Gesland, Jean-Yves; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 3–4; doi:

data_8100295
_publ_section_title
;
Refinement of the crystal structure of dilithium zirconium hexafluoride, 
Li~2~ZrF~6~, synthesized at 11 GPa and 1063 K
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              3
_journal_page_last               4
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'Li2 Zr F6'
_chemical_formula_structural     'Li2 Zr F6'
_chemical_formula_sum            'F6 Li2 Zr'
_chemical_name_common            'dilitium zirconium hexafluoride'
_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                90.0
_cell_angle_beta                 106.9462(5)
_cell_angle_gamma                90.0
_cell_length_a                   7.42235(4)
_cell_length_b                   4.948873(30)
_cell_length_c                   10.96878(7)
_diffrn_ambient_environment      capillary
_diffrn_ambient_pressure         '1 atm.'
_diffrn_ambient_temperature      293
_exptl_crystal_pressure_history  'synthesized at 11 GPa'
_exptl_crystal_thermal_history   'synthesized at 11 GPa and 1063 K'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_ambient_temperature' value '293 K' was changed to '293' -
the value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'F6 Li2 Zr1'
_cod_database_code               8100295
Crystal structure of tricaesium arsenide, Cs~3~As
Hirt, Holger; Deiseroth, Hans Jörg; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 6–6; doi:

data_8100296
_publ_section_title
;
Crystal structure of tricaesium arsenide, Cs~3~As
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              6
_journal_page_last               6
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'Cs3 As'
_chemical_formula_sum            'As Cs3'
_chemical_formula_weight         473.65
_space_group_IT_number           185
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   10.783(2)
_cell_length_b                   10.783(2)
_cell_length_c                   11.147(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1122.5(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.204
_cod_original_formula_sum        'As1 Cs3'
_cod_database_code               8100296