# generated using pymatgen
data_Fe(NiN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80832784
_cell_length_b   6.80794134
_cell_length_c   3.72986900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.29159883
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(NiN)3
_chemical_formula_sum   'Fe2 Ni6 N6'
_cell_volume   149.27836013
_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  0.66507500  0.33493500  0.75000000  1.0
  Fe  Fe1  1  0.33492500  0.66506500  0.25000000  1.0
  Ni  Ni2  1  0.85586000  0.70790700  0.25000000  1.0
  Ni  Ni3  1  0.84992400  0.14992200  0.25000000  1.0
  Ni  Ni4  1  0.29209900  0.14429400  0.25000000  1.0
  Ni  Ni5  1  0.14414000  0.29209300  0.75000000  1.0
  Ni  Ni6  1  0.15007600  0.85007800  0.75000000  1.0
  Ni  Ni7  1  0.70790100  0.85570600  0.75000000  1.0
  N  N8  1  0.81499300  0.63235400  0.75000000  1.0
  N  N9  1  0.81368200  0.18617300  0.75000000  1.0
  N  N10  1  0.36765200  0.18518300  0.75000000  1.0
  N  N11  1  0.18500700  0.36764600  0.25000000  1.0
  N  N12  1  0.18631800  0.81382700  0.25000000  1.0
  N  N13  1  0.63234800  0.81481700  0.25000000  1.0