# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Iron carbide'
_chemical_formula_sum 'Fe4 C'
 
loop_
_publ_author_name
 'Z. G. Pinsker'
 'S. V. Kaverin'
_journal_name_full
;
Soviet Physics-Crystallography, translated from Kristallografiya
;
_journal_volume 1
_journal_year 1956
_journal_page_first 48
_journal_page_last 53
_publ_Section_title
;
 Electron-Diffraction Determination of the Structure of Iron Carbide Fe$_4$C
;

# Found in  Pearson's Handbook, Vol. II, pp. 1895

_aflow_proto 'AB4_cP5_215_a_e' 
_aflow_params 'a,x2' 
_aflow_params_values '3.878,0.265' 
_aflow_Strukturbericht 'None' 
_aflow_Pearson 'cP5' 

_symmetry_space_group_name_Hall "P -4 2 3"
_symmetry_space_group_name_H-M "P -4 3 m"
_symmetry_Int_Tables_number 215

_cell_length_a    3.87800
_cell_length_b    3.87800
_cell_length_c    3.87800
_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,x,z
14 y,-x,-z
15 -y,x,-z
16 -y,-x,z
17 x,z,y
18 x,-z,-y
19 -x,z,-y
20 -x,-z,y
21 z,y,x
22 z,-y,-x
23 -z,y,-x
24 -z,-y,x
 
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
C1  C    1 a 0.00000 0.00000 0.00000 1.00000
Fe1 Fe   4 e 0.26500 0.26500 0.26500 1.00000
