# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Fe2 P'
 
loop_
_publ_author_name
 'Sterling B. Hendricks'
 'Peter R. Kosting'
_journal_name_full
;
Zeitschrift f\"{u}r Kristallographie - Crystalline Materials
;
_journal_volume 74
_journal_year 1930
_journal_page_first 511
_journal_page_last 533
_publ_Section_title
;
 The Crystal Structure of Fe$_2$P, Fe$_2$N, Fe$_3$N and FeB
;

# Found in  Strukturbericht, Vol. II, pp. 15

_aflow_proto 'A2B_hP9_150_ef_bd' 
_aflow_params 'a,c/a,z2,x3,x4' 
_aflow_params_values '5.85,0.589743589744,0.875,0.26,0.6' 
_aflow_Strukturbericht 'C22' 
_aflow_Pearson 'hP9' 

_symmetry_space_group_name_Hall "P 3 2"
_symmetry_space_group_name_H-M "P 3 2 1"
_symmetry_Int_Tables_number 150

_cell_length_a    5.85000
_cell_length_b    5.85000
_cell_length_c    3.45000
_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 x-y,-y,-z
5 y,x,-z
6 -x,-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
P1  P    1 b 0.00000 0.00000 0.50000 1.00000
P2  P    2 d 0.33333 0.66667 0.87500 1.00000
Fe1 Fe   3 e 0.26000 0.00000 0.00000 1.00000
Fe2 Fe   3 f 0.60000 0.00000 0.50000 1.00000
