# generated using pymatgen
data_Fe2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33186557
_cell_length_b   4.73931102
_cell_length_c   8.21203270
_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   'Fe12 N6'
_cell_volume   168.59350954
_cell_formula_units_Z   6
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  0.24810200  0.16719700  0.58333700  1
  Fe  Fe1  1  0.74810200  0.33280300  0.41666300  1
  Fe  Fe2  1  0.25144500  0.66938100  0.08308100  1
  Fe  Fe3  1  0.25189800  0.66719700  0.41666300  1
  Fe  Fe4  1  0.24761500  0.66464500  0.75223500  1
  Fe  Fe5  1  0.74761500  0.83535500  0.24776500  1
  Fe  Fe6  1  0.75189800  0.83280300  0.58333700  1
  Fe  Fe7  1  0.24855500  0.16938100  0.91691900  1
  Fe  Fe8  1  0.25238500  0.16464500  0.24776500  1
  Fe  Fe9  1  0.75238500  0.33535500  0.75223500  1
  Fe  Fe10  1  0.74855500  0.33061900  0.08308100  1
  Fe  Fe11  1  0.75144500  0.83061900  0.91691900  1
  N  N12  1  0.00000000  0.00000000  0.74959600  1
  N  N13  1  0.00000000  0.50000000  0.57564700  1
  N  N14  1  0.50000000  0.00000000  0.42435300  1
  N  N15  1  0.00000000  0.00000000  0.09097600  1
  N  N16  1  0.50000000  0.50000000  0.90902400  1
  N  N17  1  0.50000000  0.50000000  0.25040400  1
