# generated using pymatgen
data_Fe4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57535566
_cell_length_b   2.57535566
_cell_length_c   25.37294639
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4N
_chemical_formula_sum   'Fe12 N3'
_cell_volume   145.73905927
_cell_formula_units_Z   3
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  0.66666700  0.33333300  0.20477600  1
  Fe  Fe1  1  0.00000000  0.00000000  0.12855800  1
  Fe  Fe2  1  0.33333300  0.66666700  0.04810100  1
  Fe  Fe3  1  0.33333300  0.66666700  0.28523200  1
  Fe  Fe4  1  0.33333300  0.66666700  0.53810900  1
  Fe  Fe5  1  0.66666700  0.33333300  0.46189100  1
  Fe  Fe6  1  0.00000000  0.00000000  0.38143400  1
  Fe  Fe7  1  0.00000000  0.00000000  0.61856600  1
  Fe  Fe8  1  0.00000000  0.00000000  0.87144200  1
  Fe  Fe9  1  0.33333300  0.66666700  0.79522400  1
  Fe  Fe10  1  0.66666700  0.33333300  0.71476800  1
  Fe  Fe11  1  0.66666700  0.33333300  0.95189900  1
  N  N12  1  0.66666700  0.33333300  0.33333300  1
  N  N13  1  0.33333300  0.66666700  0.66666700  1
  N  N14  1  0.00000000  0.00000000  0.00000000  1
