LMucko/crystallography-open-database huggingface dataset:
Ba5 Cu4 F17 Cl: a new copper chlorofluoride with chains structure. Structural and magnetic properties
Fompeyrine, J; Nazabal, V; Darriet, J; Courbion, G; European Journal of Solid State Inorganic Chemistry 32 (1995) 977–995; doi:

data_1000397
_publ_section_title
;
Ba5 Cu4 F17 Cl: a new copper chlorofluoride with chains structure.
Structural and magnetic properties
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              977
_journal_page_last               995
_journal_volume                  32
_journal_year                    1995
_chemical_formula_structural     'Ba5 Cu4 F17 Cl'
_chemical_formula_sum            'Ba5 Cl Cu4 F17'
_chemical_name_systematic        'Barium copper fluoride chloride (5/4/17/1)'
_space_group_IT_number           189
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.731(1)
_cell_length_b                   10.731(1)
_cell_length_c                   12.803(2)
_cell_volume                     1276.8
_refine_ls_R_factor_all          0.034
_cod_database_code               1000397
On new fluorides with the jarlite-type structure: crystal structures of Na2 Sr7 Al6 F34, Na2 Sr6 Zn Fe6 F34 and Ba7 Ga6 (F, OH)32 . 2H2O
Hemon-Ribaud, A; Crosnier-Lopez, M P; Fourquet, J L; Courbion, G; Journal of Fluorine Chemistry 68 (1994) 155–163; doi:10.1016/0022-1139(93)03035-K

data_1000398
_publ_section_title
;
On new fluorides with the jarlite-type structure: crystal structures of
Na2 Sr7 Al6 F34, Na2 Sr6 Zn Fe6 F34 and Ba7 Ga6 (F, OH)32 . 2H2O
;
_journal_coden_ASTM              JFLCAR
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              155
_journal_page_last               163
_journal_paper_doi               10.1016/0022-1139(93)03035-K
_journal_volume                  68
_journal_year                    1994
_chemical_formula_structural     'Sr7 (Na2 Al6 F34)'
_chemical_formula_sum            'Al6 F34 Na2 Sr7'
_chemical_name_systematic
;
Strontium sodium aluminium fluoride (7/2/6/34)
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.23(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.07199(300)
_cell_length_b                   10.822(1)
_cell_length_c                   7.258(1)
_cell_volume                     1238.2
_refine_ls_R_factor_all          0.026
_cod_database_code               1000398
On new fluorides with the jarlite-type structure: crystal structures of Na2 Sr7 Al6 F34, Na2 Sr6 Zn Fe6 F34 and Ba7 Ga6 (F, OH)32 . 2H2O
Hemon-Ribaud, A; Crosnier-Lopez, M P; Fourquet, J L; Courbion, G; Journal of Fluorine Chemistry 68 (1994) 155–163; doi:10.1016/0022-1139(93)03035-K

data_1000399
_publ_section_title
;
On new fluorides with the jarlite-type structure: crystal structures of
Na2 Sr7 Al6 F34, Na2 Sr6 Zn Fe6 F34 and Ba7 Ga6 (F, OH)32 . 2H2O
;
_journal_coden_ASTM              JFLCAR
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              155
_journal_page_last               163
_journal_paper_doi               10.1016/0022-1139(93)03035-K
_journal_volume                  68
_journal_year                    1994
_chemical_formula_structural     'Ba7 Ga6 (F0.5 (O H)0.5)32 (H2 O)2'
_chemical_formula_sum            'Ba7 F16 Ga6 H20 O18'
_chemical_name_systematic
;
Barium gallium fluoride hydroxide hydrate (7/6/16/16/2)
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.28(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.90799(200)
_cell_length_b                   11.406(1)
_cell_length_c                   7.542(1)
_cell_volume                     1426.4
_refine_ls_R_factor_all          0.029
_cod_original_formula_sum        'H20 Ba7 F16 Ga6 O18'
_cod_database_code               1000399
On new fluorides with the jarlite-type structure: crystal structures of Na2 Sr7 Al6 F34, Na2 Sr6 Zn Fe6 F34 and Ba7 Ga6 (F, OH)32 . 2H2O
Hemon-Ribaud, A; Crosnier-Lopez, M P; Fourquet, J L; Courbion, G; Journal of Fluorine Chemistry 68 (1994) 155–163; doi:10.1016/0022-1139(93)03035-K

data_1000400
_publ_section_title
;
On new fluorides with the jarlite-type structure: crystal structures of
Na2 Sr7 Al6 F34, Na2 Sr6 Zn Fe6 F34 and Ba7 Ga6 (F, OH)32 . 2H2O
;
_journal_coden_ASTM              JFLCAR
_journal_name_full               'Journal of Fluorine Chemistry'
_journal_page_first              155
_journal_page_last               163
_journal_paper_doi               10.1016/0022-1139(93)03035-K
_journal_volume                  68
_journal_year                    1994
_chemical_formula_structural     '(Sr6.04 Na0.96) (Na Zn Fe6 F34)'
_chemical_formula_sum            'F34 Fe6 Na1.96 Sr6.04 Zn'
_chemical_name_systematic
;
Strontium sodium zinc iron fluoride (6/2/1/6/34)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.72(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.16699(300)
_cell_length_b                   11.013(1)
_cell_length_c                   15.090(2)
_cell_volume                     2630.7
_refine_ls_R_factor_all          0.067
_cod_database_code               1000400
La reaction d'echange topotactique Li Nb O3 -> H Nb O3 en milieu acide
Fourquet, J-L; Renou, M-F; De Pape, R; Revue de Chimie Minerale 21 (1984) 383–390; doi:

data_1000401
_publ_section_title
;
La reaction d'echange topotactique Li Nb O3 -> H Nb O3 en milieu acide
;
_journal_coden_ASTM              RVCMA8
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              383
_journal_page_last               390
_journal_volume                  21
_journal_year                    1984
_chemical_formula_structural     'H Nb O3'
_chemical_formula_sum            'H Nb O3'
_chemical_name_systematic        'Niobic acid'
_space_group_IT_number           204
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.645(2)
_cell_length_b                   7.645(2)
_cell_length_c                   7.645(2)
_cell_volume                     446.8
_cod_database_code               1000401
A new refinement of the crystal structure of the inverse Weberite Fe2 F5 (H2 O)2
Laligant, Y; Pannetier, J; Labbe, P; Ferey, G; Journal of Solid State Chemistry 62 (1986) 274–277; doi:10.1016/0022-4596(86)90240-9

data_1000402
_publ_section_title
;
A new refinement of the crystal structure of the inverse Weberite Fe2
F5 (H2 O)2
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              274
_journal_page_last               277
_journal_paper_doi               10.1016/0022-4596(86)90240-9
_journal_volume                  62
_journal_year                    1986
_chemical_formula_structural     'Fe2 F5 (H2 O)2'
_chemical_formula_sum            'F5 Fe2 H4 O2'
_chemical_name_systematic        'Iron iron(III) fluoride dihydrate'
_space_group_IT_number           74
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.477(1)
_cell_length_b                   10.862(2)
_cell_length_c                   6.652(1)
_cell_volume                     540.2
_exptl_crystal_density_meas      2.95
_refine_ls_R_factor_all          0.029
_cod_original_formula_sum        'H4 F5 Fe2 O2'
_cod_database_code               1000402
Complex copper(II) fluorides III. Crystal structure of Ba2 Cu V2 F12; A new bidimensional M X4 network
Renaudin, J; Laligant, Y; Samouel, M; de Kozak, A; Ferey, G; Journal of Solid State Chemistry 62 (1986) 158–163; doi:10.1016/0022-4596(86)90226-4

data_1000403
_publ_section_title
;
Complex copper(II) fluorides III. Crystal structure of Ba2 Cu V2 F12; A
new bidimensional M X4 network
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              158
_journal_page_last               163
_journal_paper_doi               10.1016/0022-4596(86)90226-4
_journal_volume                  62
_journal_year                    1986
_chemical_formula_structural     'Ba2 V (Cu V) F12'
_chemical_formula_sum            'Ba2 Cu F12 V2'
_chemical_name_systematic        'Barium vanadium copper fluoride (2/2/1/12)'
_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                65.05(1)
_cell_angle_beta                 70.26(2)
_cell_angle_gamma                73.19(2)
_cell_formula_units_Z            1
_cell_length_a                   5.365(1)
_cell_length_b                   6.950(1)
_cell_length_c                   7.433(1)
_cell_volume                     233.0
_exptl_crystal_density_meas      4.65
_refine_ls_R_factor_all          0.0327
_cod_database_code               1000403
Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character
Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G; Journal of Physics C 19 (1986) 1081–1095; doi:10.1088/0022-3719/19/8/007

data_1000404
_publ_section_title
;
Ordered magnetic frustration: IV. The two magnetic structures of the
inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of
the frustration character
;
_journal_coden_ASTM              JPSOAW
_journal_name_full               'Journal of Physics C'
_journal_page_first              1081
_journal_page_last               1095
_journal_paper_doi               10.1088/0022-3719/19/8/007
_journal_volume                  19
_journal_year                    1986
_chemical_formula_structural     'Fe2 F5 (H2 O)2'
_chemical_formula_sum            'F5 Fe2 H4 O2'
_chemical_name_systematic        'Iron Iron(III) pentafluoride dihydrate'
_space_group_IT_number           74
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.472(1)
_cell_length_b                   10.928(1)
_cell_length_c                   6.606(2)
_cell_volume                     539.4
_refine_ls_R_factor_all          0.0568
_cod_original_formula_sum        'H4 F5 Fe2 O2'
_cod_database_code               1000404
Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character
Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G; Journal of Physics C 19 (1986) 1081–1095; doi:10.1088/0022-3719/19/8/007

data_1000405
_publ_section_title
;
Ordered magnetic frustration: IV. The two magnetic structures of the
inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of
the frustration character
;
_journal_coden_ASTM              JPSOAW
_journal_name_full               'Journal of Physics C'
_journal_page_first              1081
_journal_page_last               1095
_journal_paper_doi               10.1088/0022-3719/19/8/007
_journal_volume                  19
_journal_year                    1986
_chemical_formula_structural     'Fe2 F5 (H2 O)2'
_chemical_formula_sum            'F5 Fe2 H4 O2'
_chemical_name_systematic        'Iron Iron(III) pentafluoride dihydrate'
_space_group_IT_number           74
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.469(1)
_cell_length_b                   10.927(1)
_cell_length_c                   6.602(2)
_cell_volume                     538.8
_refine_ls_R_factor_all          0.0651
_cod_original_formula_sum        'H4 F5 Fe2 O2'
_cod_database_code               1000405
Ordered magnetic frustration: IV. The two magnetic structures of the inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of the frustration character
Laligant, Y; Leblanc, M; Pannetier, J; Ferey, G; Journal of Physics C 19 (1986) 1081–1095; doi:10.1088/0022-3719/19/8/007

data_1000406
_publ_section_title
;
Ordered magnetic frustration: IV. The two magnetic structures of the
inverse weberite Fe2 F5 (H2 O)2: an example of the thermal evolution of
the frustration character
;
_journal_coden_ASTM              JPSOAW
_journal_name_full               'Journal of Physics C'
_journal_page_first              1081
_journal_page_last               1095
_journal_paper_doi               10.1088/0022-3719/19/8/007
_journal_volume                  19
_journal_year                    1986
_chemical_formula_structural     'Fe2 F5 (H2 O)2'
_chemical_formula_sum            'F5 Fe2 H4 O2'
_chemical_name_systematic        'Iron Iron(III) pentafluoride dihydrate'
_space_group_IT_number           74
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.470(1)
_cell_length_b                   10.930(1)
_cell_length_c                   6.603(1)
_cell_volume                     539.1
_refine_ls_R_factor_all          0.0417
_cod_original_formula_sum        'H4 F5 Fe2 O2'
_cod_database_code               1000406
Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement
Bulou, A; Nouet, J; Journal of Physics C 20 (1987) 2885–2900; doi:10.1088/0022-3719/20/19/014

data_1000407
_publ_section_title
;
Structural phase transitions in ferroelastic Tl Al F4: DSC
investigations and structures determinations by neutron powder profile
refinement
;
_journal_coden_ASTM              JPSOAW
_journal_name_full               'Journal of Physics C'
_journal_page_first              2885
_journal_page_last               2900
_journal_paper_doi               10.1088/0022-3719/20/19/014
_journal_volume                  20
_journal_year                    1987
_chemical_formula_structural     'Tl (Al F4)'
_chemical_formula_sum            'Al F4 Tl'
_chemical_name_systematic        'Thallium tetrafluoroaluminate - II'
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1418(1)
_cell_length_b                   5.1418(1)
_cell_length_c                   12.8070(2)
_cell_volume                     338.6
_refine_ls_R_factor_all          0.0298
_cod_database_code               1000407
Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement
Bulou, A; Nouet, J; Journal of Physics C 20 (1987) 2885–2900; doi:10.1088/0022-3719/20/19/014

data_1000408
_publ_section_title
;
Structural phase transitions in ferroelastic Tl Al F4: DSC
investigations and structures determinations by neutron powder profile
refinement
;
_journal_coden_ASTM              JPSOAW
_journal_name_full               'Journal of Physics C'
_journal_page_first              2885
_journal_page_last               2900
_journal_paper_doi               10.1088/0022-3719/20/19/014
_journal_volume                  20
_journal_year                    1987
_chemical_formula_structural     'Tl (Al F4)'
_chemical_formula_sum            'Al F4 Tl'
_chemical_name_systematic        'Thallium tetrafluoroaluminate - III'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.119(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1376(2)
_cell_length_b                   5.1301(1)
_cell_length_c                   12.7822(3)
_cell_volume                     336.9
_refine_ls_R_factor_all          0.0365
_cod_database_code               1000408
Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement
Bulou, A; Nouet, J; Journal of Physics C 20 (1987) 2885–2900; doi:10.1088/0022-3719/20/19/014

data_1000409
_publ_section_title
;
Structural phase transitions in ferroelastic Tl Al F4: DSC
investigations and structures determinations by neutron powder profile
refinement
;
_journal_coden_ASTM              JPSOAW
_journal_name_full               'Journal of Physics C'
_journal_page_first              2885
_journal_page_last               2900
_journal_paper_doi               10.1088/0022-3719/20/19/014
_journal_volume                  20
_journal_year                    1987
_chemical_formula_structural     'Tl (Al F4)'
_chemical_formula_sum            'Al F4 Tl'
_chemical_name_systematic        'Thallium tetrafluoroaluminate - III'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.289(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1138(2)
_cell_length_b                   5.0912(2)
_cell_length_c                   12.6878(6)
_cell_volume                     330.3
_refine_ls_R_factor_all          0.0454
_cod_database_code               1000409
Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement
Bulou, A; Nouet, J; Journal of Physics C 20 (1987) 2885–2900; doi:10.1088/0022-3719/20/19/014

data_1000410
_publ_section_title
;
Structural phase transitions in ferroelastic Tl Al F4: DSC
investigations and structures determinations by neutron powder profile
refinement
;
_journal_coden_ASTM              JPSOAW
_journal_name_full               'Journal of Physics C'
_journal_page_first              2885
_journal_page_last               2900
_journal_paper_doi               10.1088/0022-3719/20/19/014
_journal_volume                  20
_journal_year                    1987
_chemical_formula_structural     'Tl (Al F4)'
_chemical_formula_sum            'Al F4 Tl'
_chemical_name_systematic        'Thallium tetrafluoroaluminate - III'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.355(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1010(3)
_cell_length_b                   5.0745(3)
_cell_length_c                   12.6324(7)
_cell_volume                     327.0
_refine_ls_R_factor_all          0.0463
_cod_database_code               1000410
Fluorures complexes de cuivre II. V. Structure cristalline de α-Ba~2~Cu~5~F~14~
de Kozak, A.; Samouel, M.; Renaudin, J.; Ferey, G.; Revue de Chimie Minerale 23 (1986) 352–361; doi:

data_1000411
_publ_section_title
;
 Fluorures complexes de cuivre II. V. Structure cristalline de
 \a-Ba~2~Cu~5~F~14~
;
_journal_coden_ASTM              RVCMA8
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              352
_journal_page_last               361
_journal_volume                  23
_journal_year                    1986
_chemical_formula_structural     'Ba2 Cu5 F14'
_chemical_formula_sum            'Ba2 Cu5 F14'
_chemical_name_systematic        'Dibarium pentacopper fluoride - \a'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.10(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.170(2)
_cell_length_b                   6.652(1)
_cell_length_c                   10.328(1)
_cell_volume                     1111.3
_refine_ls_R_factor_all          0.058
_cod_database_code               1000411
La structure cristalline de (C (N H2)3)2 Al F5 (H2 O)2
Fourquet, J L; Plet, F; De Pape, R; Revue de Chimie Minerale 23 (1986) 183–190; doi:

data_1000412
_publ_section_title
;
La structure cristalline de (C (N H2)3)2 Al F5 (H2 O)2
;
_journal_coden_ASTM              RVCMA8
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              183
_journal_page_last               190
_journal_volume                  23
_journal_year                    1986
_chemical_formula_structural     '(C (N H2)3)2 Al F5 (H2 O)2'
_chemical_formula_sum            'C2 H16 Al F5 N6 O2'
_chemical_name_systematic
;
Diguanidinium aluminium pentafluoride dihydrate
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.04999(1000)
_cell_length_b                   7.291(5)
_cell_length_c                   7.834(5)
_cell_volume                     1145.2
_exptl_crystal_density_meas      1.64
_refine_ls_R_factor_all          0.032
_cod_depositor_comments
;
 Removing dummy H atoms since the hydrogen atoms they represent are already
 marked using the _atom_site_attached_hydrogens data item.

 Antanas Vaitkus,
 2017-09-11

 Correcting the _chemical_formula_sum data item value by changing it from
 'Al F5 H16 N6 O2' to 'C2 H16 Al F5 N6 O2'.

 Antanas Vaitkus,
 2017-09-11
;
_cod_original_formula_sum        'H16 Al F5 N6 O2'
_cod_database_code               1000412