# generated using pymatgen
data_ZrFeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31008873
_cell_length_b   4.39809163
_cell_length_c   7.20196098
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeN2
_chemical_formula_sum   'Zr4 Fe4 N8'
_cell_volume   199.87133048
_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
  Zr  Zr0  1  0.75000000  0.60903200  0.62700500  1
  Zr  Zr1  1  0.25000000  0.39096800  0.37299500  1
  Zr  Zr2  1  0.25000000  0.89096800  0.12700500  1
  Zr  Zr3  1  0.75000000  0.10903200  0.87299500  1
  Fe  Fe4  1  0.75000000  0.56801600  0.13211700  1
  Fe  Fe5  1  0.25000000  0.43198400  0.86788300  1
  Fe  Fe6  1  0.25000000  0.93198400  0.63211700  1
  Fe  Fe7  1  0.75000000  0.06801600  0.36788300  1
  N  N8  1  0.25000000  0.59498500  0.61774100  1
  N  N9  1  0.75000000  0.40501500  0.38225900  1
  N  N10  1  0.75000000  0.90501500  0.11774100  1
  N  N11  1  0.25000000  0.09498500  0.88225900  1
  N  N12  1  0.25000000  0.55628800  0.12084100  1
  N  N13  1  0.75000000  0.44371200  0.87915900  1
  N  N14  1  0.75000000  0.94371200  0.62084100  1
  N  N15  1  0.25000000  0.05628800  0.37915900  1
