# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Cr5Al8'
_chemical_formula_sum 'Al8 Cr5'

loop_
_publ_author_name
 'A. J. Bradley'
 'S. S. Lu'
_journal_name_full_name
;
 Zeitschrift f\"{u}r Kristallographie - Crystalline Materials
;
_journal_volume 96
_journal_year 1937
_journal_page_first 20
_journal_page_last 37
_publ_Section_title
;
 The Crystal Structures of Cr$_{2}$Al and Cr$_{5}$Al$_{8}$
;

# Found in Crystal Data, 2014 Found in Crystal Data, {Crystallography-online.com},

_aflow_title 'Cr$_{5}$Al$_{8}$ ($D8_{10}$) Structure'
_aflow_proto 'A8B5_hR26_160_a3bc_a3b'
_aflow_params 'a,c/a,x_{1},x_{2},x_{3},z_{3},x_{4},z_{4},x_{5},z_{5},x_{6},z_{6},x_{7},z_{7},x_{8},z_{8},x_{9},y_{9},z_{9}'
_aflow_params_values '12.71838,0.624030733474,0.672,0.194,0.654,0.01201,0.349,0.58199,0.722,0.35601,1.003,-0.20599,0.998,-0.66,0.355,1.00601,1.033,-0.339,0.28799'
_aflow_Strukturbericht '$D8_{10}$'
_aflow_Pearson 'hR26'

_symmetry_space_group_name_H-M "R 3 m (hexagonal axes)"
_symmetry_Int_Tables_number 160
 
_cell_length_a    12.71838
_cell_length_b    12.71838
_cell_length_c    7.93666
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 120.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -y,-x,z
5 x,x-y,z
6 -x+y,y,z
7 x+1/3,y+2/3,z+2/3
8 -y+1/3,x-y+2/3,z+2/3
9 -x+y+1/3,-x+2/3,z+2/3
10 -y+1/3,-x+2/3,z+2/3
11 x+1/3,x-y+2/3,z+2/3
12 -x+y+1/3,y+2/3,z+2/3
13 x+2/3,y+1/3,z+1/3
14 -y+2/3,x-y+1/3,z+1/3
15 -x+y+2/3,-x+1/3,z+1/3
16 -y+2/3,-x+1/3,z+1/3
17 x+2/3,x-y+1/3,z+1/3
18 -x+y+2/3,y+1/3,z+1/3
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al1 Al   3 a 0.00000 0.00000 0.67200 1.00000
Cr1 Cr   3 a 0.00000 0.00000 0.19400 1.00000
Al2 Al   9 b 0.54733 0.45267 0.10667 1.00000
Al3 Al   9 b 0.25567 0.74433 0.09333 1.00000
Al4 Al   9 b 0.45533 0.54467 0.26667 1.00000
Cr2 Cr   9 b 0.73633 0.26367 0.26667 1.00000
Cr3 Cr   9 b 0.88600 0.11400 0.11200 1.00000
Cr4 Cr   9 b 0.11633 0.88367 0.23867 1.00000
Al5 Al  18 c 0.70567 0.66633 0.32733 1.00000
