# generated using pymatgen
data_Fe2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34744502
_cell_length_b   5.46839952
_cell_length_c   4.74632452
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2N
_chemical_formula_sum   'Fe8 N4'
_cell_volume   112.83706047
_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
  Fe  Fe0  1  0.25081800  0.08465700  0.87343400  1
  Fe  Fe1  1  0.75081800  0.91534300  0.62656600  1
  Fe  Fe2  1  0.24918200  0.58465700  0.62656600  1
  Fe  Fe3  1  0.74918200  0.41534300  0.87343400  1
  Fe  Fe4  1  0.25081800  0.58465700  0.12656600  1
  Fe  Fe5  1  0.75081800  0.41534300  0.37343400  1
  Fe  Fe6  1  0.24918200  0.08465700  0.37343400  1
  Fe  Fe7  1  0.74918200  0.91534300  0.12656600  1
  N  N8  1  0.50000000  0.75000000  0.86506600  1
  N  N9  1  0.00000000  0.25000000  0.63493400  1
  N  N10  1  0.50000000  0.25000000  0.13493400  1
  N  N11  1  0.00000000  0.75000000  0.36506600  1
