# generated using pymatgen
data_Fe2Ni3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76436988
_cell_length_b   6.92442195
_cell_length_c   5.51168330
_cell_angle_alpha   90.00000000
_cell_angle_beta   93.91099176
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Ni3N4
_chemical_formula_sum   'Fe8 Ni12 N16'
_cell_volume   333.71514607
_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
  Fe  Fe0  1  0.69691100  0.13489200  0.35264900  1
  Fe  Fe1  1  0.30308900  0.13489200  0.14735100  1
  Fe  Fe2  1  0.30308900  0.86510800  0.64735100  1
  Fe  Fe3  1  0.69691100  0.86510800  0.85264900  1
  Fe  Fe4  1  0.19691100  0.63489200  0.35264900  1
  Fe  Fe5  1  0.80308900  0.63489200  0.14735100  1
  Fe  Fe6  1  0.80308900  0.36510800  0.64735100  1
  Fe  Fe7  1  0.19691100  0.36510800  0.85264900  1
  Ni  Ni8  1  0.88505700  0.11064900  0.98856800  1
  Ni  Ni9  1  0.11494300  0.11064900  0.51143200  1
  Ni  Ni10  1  0.11494300  0.88935100  0.01143200  1
  Ni  Ni11  1  0.88505700  0.88935100  0.48856800  1
  Ni  Ni12  1  0.50000000  0.86135700  0.25000000  1
  Ni  Ni13  1  0.50000000  0.13864300  0.75000000  1
  Ni  Ni14  1  0.38505700  0.61064900  0.98856800  1
  Ni  Ni15  1  0.61494300  0.61064900  0.51143200  1
  Ni  Ni16  1  0.61494300  0.38935100  0.01143200  1
  Ni  Ni17  1  0.38505700  0.38935100  0.48856800  1
  Ni  Ni18  1  0.00000000  0.36135700  0.25000000  1
  Ni  Ni19  1  0.00000000  0.63864300  0.75000000  1
  N  N20  1  0.39941200  0.67936100  0.47034800  1
  N  N21  1  0.60058800  0.67936100  0.02965200  1
  N  N22  1  0.60058800  0.32063900  0.52965200  1
  N  N23  1  0.39941200  0.32063900  0.97034800  1
  N  N24  1  0.66292200  0.09281000  0.02310900  1
  N  N25  1  0.33707800  0.09281000  0.47689100  1
  N  N26  1  0.33707800  0.90719000  0.97689100  1
  N  N27  1  0.66292200  0.90719000  0.52310900  1
  N  N28  1  0.89941200  0.17936100  0.47034800  1
  N  N29  1  0.10058800  0.17936100  0.02965200  1
  N  N30  1  0.10058800  0.82063900  0.52965200  1
  N  N31  1  0.89941200  0.82063900  0.97034800  1
  N  N32  1  0.16292200  0.59281000  0.02310900  1
  N  N33  1  0.83707800  0.59281000  0.47689100  1
  N  N34  1  0.83707800  0.40719000  0.97689100  1
  N  N35  1  0.16292200  0.40719000  0.52310900  1
