# generated using pymatgen
data_Fe3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42000000
_cell_length_b   5.42000000
_cell_length_c   17.22700000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3N
_chemical_formula_sum   'Fe24 N8'
_cell_volume   438.26708829
_cell_formula_units_Z   8
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  0.93203000  0.33592000  0.06220000  1
  Fe  Fe1  1  0.66408000  0.59611000  0.06220000  1
  Fe  Fe2  1  0.40389000  0.06797000  0.06220000  1
  Fe  Fe3  1  0.66408000  0.06797000  0.93780000  1
  Fe  Fe4  1  0.40389000  0.33592000  0.93780000  1
  Fe  Fe5  1  0.93203000  0.59611000  0.93780000  1
  Fe  Fe6  1  0.98407000  0.25713000  0.81564000  1
  Fe  Fe7  1  0.74287000  0.72694000  0.81564000  1
  Fe  Fe8  1  0.27306000  0.01593000  0.81564000  1
  Fe  Fe9  1  0.74287000  0.01593000  0.18436000  1
  Fe  Fe10  1  0.27306000  0.25713000  0.18436000  1
  Fe  Fe11  1  0.98407000  0.72694000  0.18436000  1
  Fe  Fe12  1  0.99485000  0.25552000  0.56358000  1
  Fe  Fe13  1  0.74448000  0.73933000  0.56358000  1
  Fe  Fe14  1  0.26067000  0.00515000  0.56358000  1
  Fe  Fe15  1  0.74448000  0.00515000  0.43642000  1
  Fe  Fe16  1  0.26067000  0.25552000  0.43642000  1
  Fe  Fe17  1  0.99485000  0.73933000  0.43642000  1
  Fe  Fe18  1  0.25049000  0.26634000  0.69122000  1
  Fe  Fe19  1  0.73366000  0.98415000  0.69122000  1
  Fe  Fe20  1  0.01585000  0.74951000  0.69122000  1
  Fe  Fe21  1  0.73366000  0.74951000  0.30878000  1
  Fe  Fe22  1  0.01585000  0.26634000  0.30878000  1
  Fe  Fe23  1  0.25049000  0.98415000  0.30878000  1
  N  N24  1  0.33333300  0.66666700  0.37763000  1
  N  N25  1  0.33333300  0.66666700  0.62237000  1
  N  N26  1  0.66666700  0.33333300  0.25777000  1
  N  N27  1  0.66666700  0.33333300  0.74223000  1
  N  N28  1  0.33333300  0.66666700  0.12789000  1
  N  N29  1  0.33333300  0.66666700  0.87211000  1
  N  N30  1  0.66666700  0.33333300  0.50000000  1
  N  N31  1  0.00000000  0.00000000  0.00000000  1
