# generated using pymatgen
data_Fe3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96300000
_cell_length_b   4.96300000
_cell_length_c   17.33300000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3N
_chemical_formula_sum   'Fe24 N8'
_cell_volume   369.73700513
_cell_formula_units_Z   8
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  0.87721000  0.21892000  0.09345000  1
  Fe  Fe1  1  0.78108000  0.65829000  0.09345000  1
  Fe  Fe2  1  0.34171000  0.12279000  0.09345000  1
  Fe  Fe3  1  0.78108000  0.12279000  0.90655000  1
  Fe  Fe4  1  0.34171000  0.21892000  0.90655000  1
  Fe  Fe5  1  0.87721000  0.65829000  0.90655000  1
  Fe  Fe6  1  0.10881000  0.33743000  0.79102000  1
  Fe  Fe7  1  0.66257000  0.77138000  0.79102000  1
  Fe  Fe8  1  0.22862000  0.89119000  0.79102000  1
  Fe  Fe9  1  0.66257000  0.89119000  0.20898000  1
  Fe  Fe10  1  0.22862000  0.33743000  0.20898000  1
  Fe  Fe11  1  0.10881000  0.77138000  0.20898000  1
  Fe  Fe12  1  0.05275000  0.32952000  0.56280000  1
  Fe  Fe13  1  0.67048000  0.72323000  0.56280000  1
  Fe  Fe14  1  0.27677000  0.94725000  0.56280000  1
  Fe  Fe15  1  0.67048000  0.94725000  0.43720000  1
  Fe  Fe16  1  0.27677000  0.32952000  0.43720000  1
  Fe  Fe17  1  0.05275000  0.72323000  0.43720000  1
  Fe  Fe18  1  0.33759000  0.23287000  0.67780000  1
  Fe  Fe19  1  0.76713000  0.10472000  0.67780000  1
  Fe  Fe20  1  0.89528000  0.66241000  0.67780000  1
  Fe  Fe21  1  0.76713000  0.66241000  0.32220000  1
  Fe  Fe22  1  0.89528000  0.23287000  0.32220000  1
  Fe  Fe23  1  0.33759000  0.10472000  0.32220000  1
  N  N24  1  0.33333300  0.66666700  0.32832000  1
  N  N25  1  0.33333300  0.66666700  0.67168000  1
  N  N26  1  0.66666700  0.33333300  0.20921000  1
  N  N27  1  0.66666700  0.33333300  0.79079000  1
  N  N28  1  0.33333300  0.66666700  0.09864000  1
  N  N29  1  0.33333300  0.66666700  0.90136000  1
  N  N30  1  0.66666700  0.33333300  0.50000000  1
  N  N31  1  0.00000000  0.00000000  0.00000000  1
