# generated using pymatgen
data_Fe6N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29600000
_cell_length_b   8.32200000
_cell_length_c   4.29300000
_cell_angle_alpha   90.00000000
_cell_angle_beta   82.39200000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe6N
_chemical_formula_sum   'Fe12 N2'
_cell_volume   152.12930445
_cell_formula_units_Z   2
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
  N  N0  1  0.00000000  0.00000000  0.00000000  1
  N  N1  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe2  1  0.29564000  0.00000000  0.27505000  1
  Fe  Fe3  1  0.70436000  0.00000000  0.72495000  1
  Fe  Fe4  1  0.79564000  0.50000000  0.27505000  1
  Fe  Fe5  1  0.20436000  0.50000000  0.72495000  1
  Fe  Fe6  1  0.72844000  0.33284000  0.74510000  1
  Fe  Fe7  1  0.27156000  0.66716000  0.25490000  1
  Fe  Fe8  1  0.27156000  0.33284000  0.25490000  1
  Fe  Fe9  1  0.72844000  0.66716000  0.74510000  1
  Fe  Fe10  1  0.22844000  0.83284000  0.74510000  1
  Fe  Fe11  1  0.77156000  0.16716000  0.25490000  1
  Fe  Fe12  1  0.77156000  0.83284000  0.25490000  1
  Fe  Fe13  1  0.22844000  0.16716000  0.74510000  1
