# generated using pymatgen
data_Fe3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65689274
_cell_length_b   4.65689274
_cell_length_c   17.23102357
_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   323.61912439
_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  0.00595400  0.33966100  0.93771600  1
  Fe  Fe1  1  0.99956200  0.32771100  0.18733400  1
  Fe  Fe2  1  0.00006200  0.32592800  0.68764800  1
  Fe  Fe3  1  0.33370700  0.33966100  0.06228400  1
  Fe  Fe4  1  0.32670500  0.32684200  0.56258900  1
  Fe  Fe5  1  0.32586600  0.32592800  0.31235200  1
  Fe  Fe6  1  0.32815000  0.32771100  0.81266600  1
  Fe  Fe7  1  0.66033900  0.66629300  0.93771600  1
  Fe  Fe8  1  0.67228900  0.67185000  0.18733400  1
  Fe  Fe9  1  0.67407200  0.67413400  0.68764800  1
  Fe  Fe10  1  0.67315800  0.67329500  0.43741100  1
  Fe  Fe11  1  0.33370700  0.99404600  0.93771600  1
  Fe  Fe12  1  0.32815000  0.00043800  0.18733400  1
  Fe  Fe13  1  0.32670500  0.99986300  0.43741100  1
  Fe  Fe14  1  0.32586600  0.99993800  0.68764800  1
  Fe  Fe15  1  0.66033900  0.99404600  0.06228400  1
  Fe  Fe16  1  0.67407200  0.99993800  0.31235200  1
  Fe  Fe17  1  0.67315800  0.99986300  0.56258900  1
  Fe  Fe18  1  0.67228900  0.00043800  0.81266600  1
  Fe  Fe19  1  0.00595400  0.66629300  0.06228400  1
  Fe  Fe20  1  0.00006200  0.67413400  0.31235200  1
  Fe  Fe21  1  0.00013700  0.67329500  0.56258900  1
  Fe  Fe22  1  0.99956200  0.67185000  0.81266600  1
  Fe  Fe23  1  0.00013700  0.32684200  0.43741100  1
  N  N24  1  0.33333300  0.66666700  0.24946100  1
  N  N25  1  0.33333300  0.66666700  0.50000000  1
  N  N26  1  0.33333300  0.66666700  0.75053900  1
  N  N27  1  0.00000000  0.00000000  0.00000000  1
  N  N28  1  0.66666700  0.33333300  0.12464900  1
  N  N29  1  0.66666700  0.33333300  0.37499800  1
  N  N30  1  0.66666700  0.33333300  0.62500200  1
  N  N31  1  0.66666700  0.33333300  0.87535100  1
