# generated using pymatgen
data_Fe3Mo5N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.38221970
_cell_length_b   2.86352774
_cell_length_c   4.96892319
_cell_angle_alpha   90.00000000
_cell_angle_beta   102.24854331
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Mo5N8
_chemical_formula_sum   'Fe6 Mo10 N16'
_cell_volume   311.21929337
_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  0.00000000  0.00000000  0.00000000  1
  Fe  Fe1  1  0.24923400  0.00000000  0.25054400  1
  Fe  Fe2  1  0.75076600  0.00000000  0.74945600  1
  Fe  Fe3  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe4  1  0.74923400  0.50000000  0.25054400  1
  Fe  Fe5  1  0.25076600  0.50000000  0.74945600  1
  Mo  Mo6  1  0.12769500  0.00000000  0.12869900  1
  Mo  Mo7  1  0.12946200  0.50000000  0.62711000  1
  Mo  Mo8  1  0.87230500  0.00000000  0.87130100  1
  Mo  Mo9  1  0.87053800  0.50000000  0.37289000  1
  Mo  Mo10  1  0.00000000  0.50000000  0.50000000  1
  Mo  Mo11  1  0.62769500  0.50000000  0.12869900  1
  Mo  Mo12  1  0.62946200  0.00000000  0.62711000  1
  Mo  Mo13  1  0.37230500  0.50000000  0.87130100  1
  Mo  Mo14  1  0.37053800  0.00000000  0.37289000  1
  Mo  Mo15  1  0.50000000  0.00000000  0.50000000  1
  N  N16  1  0.06675900  0.50000000  0.23724500  1
  N  N17  1  0.06685600  0.00000000  0.73199600  1
  N  N18  1  0.80966500  0.00000000  0.14564400  1
  N  N19  1  0.81009200  0.50000000  0.64671900  1
  N  N20  1  0.93314400  0.00000000  0.26800400  1
  N  N21  1  0.93324100  0.50000000  0.76275500  1
  N  N22  1  0.18990800  0.50000000  0.35328100  1
  N  N23  1  0.19033500  0.00000000  0.85435600  1
  N  N24  1  0.56675900  0.00000000  0.23724500  1
  N  N25  1  0.56685600  0.50000000  0.73199600  1
  N  N26  1  0.30966500  0.50000000  0.14564400  1
  N  N27  1  0.31009200  0.00000000  0.64671900  1
  N  N28  1  0.43314400  0.50000000  0.26800400  1
  N  N29  1  0.43324100  0.00000000  0.76275500  1
  N  N30  1  0.68990800  0.00000000  0.35328100  1
  N  N31  1  0.69033500  0.50000000  0.85435600  1
