# generated using pymatgen
data_Fe2NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74600340
_cell_length_b   11.82632859
_cell_length_c   2.80037945
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiN2
_chemical_formula_sum   'Fe4 Ni2 N4'
_cell_volume   90.94271054
_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  0.50000000  0.27238400  0.81994900  1
  Fe  Fe1  1  0.50000000  0.27238400  0.18005100  1
  Fe  Fe2  1  0.00000000  0.72761600  0.68005100  1
  Fe  Fe3  1  0.00000000  0.72761600  0.31994900  1
  Ni  Ni4  1  0.50000000  0.20478800  0.50000000  1
  Ni  Ni5  1  0.00000000  0.79521200  0.00000000  1
  N  N6  1  0.50000000  0.23546300  0.34581200  1
  N  N7  1  0.50000000  0.23546300  0.65418800  1
  N  N8  1  0.00000000  0.76453700  0.15418800  1
  N  N9  1  0.00000000  0.76453700  0.84581200  1
