# generated using pymatgen
data_Fe12N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41145365
_cell_length_b   9.41145365
_cell_length_c   4.30781660
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe12N5
_chemical_formula_sum   'Fe24 N10'
_cell_volume   330.44657331
_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
  Fe  Fe0  1  0.49284000  0.66561400  0.74768500  1
  Fe  Fe1  1  0.17277500  0.50716000  0.74768500  1
  Fe  Fe2  1  0.66561400  0.17277500  0.25231500  1
  Fe  Fe3  1  0.82722500  0.49284000  0.25231500  1
  Fe  Fe4  1  0.50716000  0.33438600  0.25231500  1
  Fe  Fe5  1  0.82722500  0.33438600  0.74768500  1
  Fe  Fe6  1  0.50716000  0.17277500  0.74768500  1
  Fe  Fe7  1  0.66561400  0.49284000  0.74768500  1
  Fe  Fe8  1  0.16576700  0.16576700  0.24603900  1
  Fe  Fe9  1  0.83423300  0.00000000  0.24603900  1
  Fe  Fe10  1  0.00000000  0.83423300  0.24603900  1
  Fe  Fe11  1  0.83423300  0.83423300  0.75396100  1
  Fe  Fe12  1  0.00000000  0.16576700  0.75396100  1
  Fe  Fe13  1  0.16576700  0.00000000  0.75396100  1
  Fe  Fe14  1  0.33438600  0.82722500  0.74768500  1
  Fe  Fe15  1  0.49284000  0.82722500  0.25231500  1
  Fe  Fe16  1  0.33438600  0.50716000  0.25231500  1
  Fe  Fe17  1  0.17277500  0.66561400  0.25231500  1
  Fe  Fe18  1  0.66372100  0.00000000  0.75472000  1
  Fe  Fe19  1  0.00000000  0.66372100  0.75472000  1
  Fe  Fe20  1  0.33627900  0.33627900  0.75472000  1
  Fe  Fe21  1  0.00000000  0.33627900  0.24528000  1
  Fe  Fe22  1  0.33627900  0.00000000  0.24528000  1
  Fe  Fe23  1  0.66372100  0.66372100  0.24528000  1
  N  N24  1  0.34266700  0.17133400  0.00000000  1
  N  N25  1  0.82866600  0.65733300  0.00000000  1
  N  N26  1  0.82866600  0.17133400  0.00000000  1
  N  N27  1  0.65733300  0.82866600  0.00000000  1
  N  N28  1  0.17133400  0.34266700  0.00000000  1
  N  N29  1  0.17133400  0.82866600  0.00000000  1
  N  N30  1  0.00000000  0.50000000  0.50000000  1
  N  N31  1  0.50000000  0.00000000  0.50000000  1
  N  N32  1  0.50000000  0.50000000  0.50000000  1
  N  N33  1  0.00000000  0.00000000  0.50000000  1
