# generated using pymatgen
data_Cr(FeN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.70236998
_cell_length_b   6.70236998
_cell_length_c   3.81457039
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr(FeN)3
_chemical_formula_sum   'Cr2 Fe6 N6'
_cell_volume   148.39971286
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr0  1  0.66666700  0.33333300  0.75000000  1
  Cr  Cr1  1  0.33333300  0.66666700  0.25000000  1
  Fe  Fe2  1  0.83616100  0.67232200  0.25000000  1
  Fe  Fe3  1  0.83616100  0.16383900  0.25000000  1
  Fe  Fe4  1  0.32767800  0.16383900  0.25000000  1
  Fe  Fe5  1  0.16383900  0.32767800  0.75000000  1
  Fe  Fe6  1  0.16383900  0.83616100  0.75000000  1
  Fe  Fe7  1  0.67232200  0.83616100  0.75000000  1
  N  N8  1  0.81731400  0.63462800  0.75000000  1
  N  N9  1  0.81731400  0.18268600  0.75000000  1
  N  N10  1  0.36537200  0.18268600  0.75000000  1
  N  N11  1  0.18268600  0.36537200  0.25000000  1
  N  N12  1  0.18268600  0.81731400  0.25000000  1
  N  N13  1  0.63462800  0.81731400  0.25000000  1
