# generated using pymatgen
data_KFeN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.85696600
_cell_length_b   3.52842900
_cell_length_c   6.66646400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFeN
_chemical_formula_sum   'K4 Fe4 N4'
_cell_volume   231.85698258
_cell_formula_units_Z   4
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
  K  K0  1  0.68022400  0.25000000  0.04832500  1.0
  K  K1  1  0.18022400  0.25000000  0.45167500  1.0
  K  K2  1  0.31977600  0.75000000  0.95167500  1.0
  K  K3  1  0.81977600  0.75000000  0.54832500  1.0
  Fe  Fe4  1  0.52227400  0.25000000  0.60962600  1.0
  Fe  Fe5  1  0.02227400  0.25000000  0.89037400  1.0
  Fe  Fe6  1  0.47772600  0.75000000  0.39037400  1.0
  Fe  Fe7  1  0.97772600  0.75000000  0.10962600  1.0
  N  N8  1  0.96619900  0.25000000  0.15851500  1.0
  N  N9  1  0.46619900  0.25000000  0.34148500  1.0
  N  N10  1  0.03380100  0.75000000  0.84148500  1.0
  N  N11  1  0.53380100  0.75000000  0.65851500  1.0