# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'zeta iron carbide'
_chemical_formula_sum 'Fe2 C'
 
loop_
_publ_author_name
 'Y. Hirotsu'
 'S. Nagakura'
_journal_name_full
;
Acta Metallurgica
;
_journal_volume 20
_journal_year 1972
_journal_page_first 645
_journal_page_last 655
_publ_Section_title
;
 Crystal structure and morphology of the carbide precipitated from martensitic high carbon steel during the first stage of tempering
;

_aflow_proto 'AB2_oP6_58_a_g' 
_aflow_params 'a,b/a,c/a,x2,y2' 
_aflow_params_values '4.704,0.917942176871,0.601615646259,0.66667,0.25' 
_aflow_Strukturbericht 'None' 
_aflow_Pearson 'oP6' 

_symmetry_space_group_name_Hall "-P 2 2n"
_symmetry_space_group_name_H-M "P n n m"
_symmetry_Int_Tables_number 58

_cell_length_a    4.70400
_cell_length_b    4.31800
_cell_length_c    2.83000
_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+1/2
3 -x+1/2,y+1/2,-z+1/2
4 -x,-y,z
5 -x,-y,-z
6 -x+1/2,y+1/2,z+1/2
7 x+1/2,-y+1/2,z+1/2
8 x,y,-z
 
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    2 a 0.00000 0.00000 0.00000 1.00000
Fe1 Fe   4 g 0.66667 0.25000 0.00000 1.00000
