# CIF file

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Cr3 Si'

loop_
_publ_author_name
 'W. Jauch'
 'A. J. Schultz'
 'G. Heger'
_journal_name_full
;
Journal of Applied Crystallography
;
_journal_volume 20
_journal_year 1987
_journal_page_first 117
_journal_page_last 119
_publ_Section_title
;
 Single-crystal time-of-flight neutron diffraction of Cr$_3$Si and MnF$_2$ comparison with monochromatic-beam techniques
;

# Found in  Pearson's Handbook Vol. III, pp. 2742

_aflow_proto 'A3B_cP8_223_c_a'
_aflow_params 'a'
_aflow_params_values '4.556'
_aflow_Strukturbericht 'A15'
_aflow_Pearson 'cP8'

_symmetry_space_group_name_Hall "-P 4n 2 3"
_symmetry_space_group_name_H-M "P m -3 n"
_symmetry_Int_Tables_number 223

_cell_length_a    4.55600
_cell_length_b    4.55600
_cell_length_c    4.55600
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x,y,-z
4 -x,-y,z
5 y,z,x
6 y,-z,-x
7 -y,z,-x
8 -y,-z,x
9 z,x,y
10 z,-x,-y
11 -z,x,-y
12 -z,-x,y
13 -y+1/2,-x+1/2,-z+1/2
14 -y+1/2,x+1/2,z+1/2
15 y+1/2,-x+1/2,z+1/2
16 y+1/2,x+1/2,-z+1/2
17 -x+1/2,-z+1/2,-y+1/2
18 -x+1/2,z+1/2,y+1/2
19 x+1/2,-z+1/2,y+1/2
20 x+1/2,z+1/2,-y+1/2
21 -z+1/2,-y+1/2,-x+1/2
22 -z+1/2,y+1/2,x+1/2
23 z+1/2,-y+1/2,x+1/2
24 z+1/2,y+1/2,-x+1/2
25 -x,-y,-z
26 -x,y,z
27 x,-y,z
28 x,y,-z
29 -y,-z,-x
30 -y,z,x
31 y,-z,x
32 y,z,-x
33 -z,-x,-y
34 -z,x,y
35 z,-x,y
36 z,x,-y
37 y+1/2,x+1/2,z+1/2
38 y+1/2,-x+1/2,-z+1/2
39 -y+1/2,x+1/2,-z+1/2
40 -y+1/2,-x+1/2,z+1/2
41 x+1/2,z+1/2,y+1/2
42 x+1/2,-z+1/2,-y+1/2
43 -x+1/2,z+1/2,-y+1/2
44 -x+1/2,-z+1/2,y+1/2
45 z+1/2,y+1/2,x+1/2
46 z+1/2,-y+1/2,-x+1/2
47 -z+1/2,y+1/2,-x+1/2
48 -z+1/2,-y+1/2,x+1/2

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
Si1 Si   2 a 0.00000 0.00000 0.00000 1.00000
Cr1 Cr   6 c 0.25000 0.00000 0.50000 1.00000
