# generated using pymatgen
data_Fe6N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94400000
_cell_length_b   3.90900000
_cell_length_c   19.45935000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe6N
_chemical_formula_sum   'Fe24 N4'
_cell_volume   300.00666705
_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  0.00000000  0.25000000  0.29730000  1
  N  N1  1  0.00000000  0.75000000  0.70270000  1
  N  N2  1  0.50000000  0.75000000  0.79730000  1
  N  N3  1  0.50000000  0.25000000  0.20270000  1
  Fe  Fe4  1  0.00000000  0.25000000  0.88346000  1
  Fe  Fe5  1  0.00000000  0.75000000  0.11654000  1
  Fe  Fe6  1  0.50000000  0.75000000  0.38346000  1
  Fe  Fe7  1  0.50000000  0.25000000  0.61654000  1
  Fe  Fe8  1  0.00000000  0.25000000  0.53804000  1
  Fe  Fe9  1  0.00000000  0.75000000  0.46196000  1
  Fe  Fe10  1  0.50000000  0.75000000  0.03804000  1
  Fe  Fe11  1  0.50000000  0.25000000  0.96196000  1
  Fe  Fe12  1  0.00000000  0.25000000  0.70142000  1
  Fe  Fe13  1  0.00000000  0.75000000  0.29858000  1
  Fe  Fe14  1  0.50000000  0.75000000  0.20142000  1
  Fe  Fe15  1  0.50000000  0.25000000  0.79858000  1
  Fe  Fe16  1  0.00000000  0.25000000  0.19418000  1
  Fe  Fe17  1  0.00000000  0.75000000  0.80582000  1
  Fe  Fe18  1  0.50000000  0.75000000  0.69418000  1
  Fe  Fe19  1  0.50000000  0.25000000  0.30582000  1
  Fe  Fe20  1  0.00000000  0.25000000  0.03749000  1
  Fe  Fe21  1  0.00000000  0.75000000  0.96251000  1
  Fe  Fe22  1  0.50000000  0.75000000  0.53749000  1
  Fe  Fe23  1  0.50000000  0.25000000  0.46251000  1
  Fe  Fe24  1  0.00000000  0.25000000  0.39162000  1
  Fe  Fe25  1  0.00000000  0.75000000  0.60838000  1
  Fe  Fe26  1  0.50000000  0.75000000  0.89162000  1
  Fe  Fe27  1  0.50000000  0.25000000  0.10838000  1
