# generated using pymatgen
data_Fe(NiN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80813468
_cell_length_b   6.80813468
_cell_length_c   3.72986943
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(NiN)3
_chemical_formula_sum   'Fe2 Ni6 N6'
_cell_volume   149.72024790
_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  0.66666700  0.33333300  0.75000000  1
  Fe  Fe1  1  0.33333300  0.66666700  0.25000000  1
  Ni  Ni2  1  0.85156100  0.70312300  0.25000000  1
  Ni  Ni3  1  0.85156100  0.14843900  0.25000000  1
  Ni  Ni4  1  0.29687700  0.14843900  0.25000000  1
  Ni  Ni5  1  0.14843900  0.29687700  0.75000000  1
  Ni  Ni6  1  0.14843900  0.85156100  0.75000000  1
  Ni  Ni7  1  0.70312300  0.85156100  0.75000000  1
  N  N8  1  0.81378500  0.62756900  0.75000000  1
  N  N9  1  0.81378500  0.18621500  0.75000000  1
  N  N10  1  0.37243100  0.18621500  0.75000000  1
  N  N11  1  0.18621500  0.37243100  0.25000000  1
  N  N12  1  0.18621500  0.81378500  0.25000000  1
  N  N13  1  0.62756900  0.81378500  0.25000000  1
