# generated using pymatgen
data_Fe5N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.46599000
_cell_length_b   3.85200000
_cell_length_c   3.87500000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5N
_chemical_formula_sum   'Fe20 N4'
_cell_volume   260.70609974
_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
  N  N0  1  0.10632000  0.00000000  0.00000000  1
  N  N1  1  0.89368000  0.00000000  0.00000000  1
  N  N2  1  0.60632000  0.50000000  0.00000000  1
  N  N3  1  0.39368000  0.50000000  0.00000000  1
  Fe  Fe4  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe5  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe6  1  0.21196000  0.00000000  0.00000000  1
  Fe  Fe7  1  0.78804000  0.00000000  0.00000000  1
  Fe  Fe8  1  0.71196000  0.50000000  0.00000000  1
  Fe  Fe9  1  0.28804000  0.50000000  0.00000000  1
  Fe  Fe10  1  0.89409000  0.00000000  0.50000000  1
  Fe  Fe11  1  0.10591000  0.00000000  0.50000000  1
  Fe  Fe12  1  0.39409000  0.50000000  0.50000000  1
  Fe  Fe13  1  0.60591000  0.50000000  0.50000000  1
  Fe  Fe14  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe15  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe16  1  0.29869000  0.00000000  0.50000000  1
  Fe  Fe17  1  0.70131000  0.00000000  0.50000000  1
  Fe  Fe18  1  0.79869000  0.50000000  0.50000000  1
  Fe  Fe19  1  0.20131000  0.50000000  0.50000000  1
  Fe  Fe20  1  0.60609000  0.00000000  0.00000000  1
  Fe  Fe21  1  0.39391000  0.00000000  0.00000000  1
  Fe  Fe22  1  0.10609000  0.50000000  0.00000000  1
  Fe  Fe23  1  0.89391000  0.50000000  0.00000000  1
