# generated using pymatgen
data_Fe5NiN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68410897
_cell_length_b   7.04030561
_cell_length_c   4.65727695
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5NiN4
_chemical_formula_sum   'Fe10 Ni2 N8'
_cell_volume   186.37427685
_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
  Fe  Fe0  1  0.74770700  0.23793900  0.30898400  1
  Fe  Fe1  1  0.74770700  0.23793900  0.69101600  1
  Fe  Fe2  1  0.74770700  0.76206100  0.30898400  1
  Fe  Fe3  1  0.74770700  0.76206100  0.69101600  1
  Fe  Fe4  1  0.25229300  0.26206100  0.19101600  1
  Fe  Fe5  1  0.25229300  0.26206100  0.80898400  1
  Fe  Fe6  1  0.25229300  0.73793900  0.19101600  1
  Fe  Fe7  1  0.25229300  0.73793900  0.80898400  1
  Fe  Fe8  1  0.28823400  0.50000000  0.50000000  1
  Fe  Fe9  1  0.71176600  0.00000000  0.00000000  1
  Ni  Ni10  1  0.25187900  0.00000000  0.50000000  1
  Ni  Ni11  1  0.74812100  0.50000000  0.00000000  1
  N  N12  1  0.00721700  0.73270000  0.50000000  1
  N  N13  1  0.00721700  0.26730000  0.50000000  1
  N  N14  1  0.99278300  0.76730000  0.00000000  1
  N  N15  1  0.99278300  0.23270000  0.00000000  1
  N  N16  1  0.51179000  0.50000000  0.27383600  1
  N  N17  1  0.51179000  0.50000000  0.72616400  1
  N  N18  1  0.48821000  0.00000000  0.22616400  1
  N  N19  1  0.48821000  0.00000000  0.77383600  1
