# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Fe Si'
 
loop_
_publ_author_name
 'L. Vo\v{c}adlo'
 'K. S. Knight'
 'G. D. Price'
 'I. G. Wood'
_journal_name_full
;
Physics and Chemistry of Minerals
;
_journal_volume 29
_journal_year 2002
_journal_page_first 132
_journal_page_last 139
_publ_Section_title
;
 Thermal expansion and crystal structure of FeSi between 4 and 1173 K determined by time-of-flight neutron powder diffraction
;

_aflow_proto 'AB_cP8_198_a_a' 
_aflow_params 'a,x1,x2' 
_aflow_params_values '4.48688,0.13652,0.8424' 
_aflow_Strukturbericht 'B20' 
_aflow_Pearson 'cP8' 

_symmetry_space_group_name_Hall "P 2ac 2ab 3 P2_13"
_symmetry_space_group_name_H-M "P 21 3"
_symmetry_Int_Tables_number 198

_cell_length_a    4.48688
_cell_length_b    4.48688
_cell_length_c    4.48688
_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+1/2,-y+1/2,-z
3 -x,y+1/2,-z+1/2
4 -x+1/2,-y,z+1/2
5 y,z,x
6 y+1/2,-z+1/2,-x
7 -y,z+1/2,-x+1/2
8 -y+1/2,-z,x+1/2
9 z,x,y
10 z+1/2,-x+1/2,-y
11 -z,x+1/2,-y+1/2
12 -z+1/2,-x,y+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
Fe1 Fe   4 a 0.13652 0.13652 0.13652 1.00000
Si1 Si   4 a 0.84240 0.84240 0.84240 1.00000
