# generated using pymatgen
data_Fe5NiN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04030600
_cell_length_b   5.68410900
_cell_length_c   4.65727700
_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   186.37429016
_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  0.55898300  0.48793900  0.25229300  1.0
  Fe  Fe1  1  0.94101700  0.48793900  0.25229300  1.0
  Fe  Fe2  1  0.55898300  0.01206100  0.25229300  1.0
  Fe  Fe3  1  0.94101700  0.01206100  0.25229300  1.0
  Fe  Fe4  1  0.44101600  0.51206100  0.74770700  1.0
  Fe  Fe5  1  0.05898400  0.51206100  0.74770700  1.0
  Fe  Fe6  1  0.44101600  0.98793900  0.74770700  1.0
  Fe  Fe7  1  0.05898400  0.98793900  0.74770700  1.0
  Fe  Fe8  1  0.75000000  0.75000000  0.71176600  1.0
  Fe  Fe9  1  0.25000000  0.25000000  0.28823400  1.0
  Ni  Ni10  1  0.75000000  0.25000000  0.74812100  1.0
  Ni  Ni11  1  0.25000000  0.75000000  0.25187900  1.0
  N  N12  1  0.75000000  0.98270000  0.99278300  1.0
  N  N13  1  0.75000000  0.51730000  0.99278300  1.0
  N  N14  1  0.25000000  0.01730000  0.00721700  1.0
  N  N15  1  0.25000000  0.48270000  0.00721700  1.0
  N  N16  1  0.52383600  0.75000000  0.48821000  1.0
  N  N17  1  0.97616400  0.75000000  0.48821000  1.0
  N  N18  1  0.47616400  0.25000000  0.51179000  1.0
  N  N19  1  0.02383600  0.25000000  0.51179000  1.0