# generated using pymatgen
data_Nb3FeRu2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23362811
_cell_length_b   8.23362814
_cell_length_c   8.23362847
_cell_angle_alpha   59.99999865
_cell_angle_beta   59.99999853
_cell_angle_gamma   59.99999914
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3FeRu2N
_chemical_formula_sum   'Nb12 Fe4 Ru8 N4'
_cell_volume   394.69238926
_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
  Nb  Nb0  1  0.80779070  0.80779070  0.19220930  1.0
  Nb  Nb1  1  0.19220930  0.19220930  0.80779070  1.0
  Nb  Nb2  1  0.80779070  0.19220930  0.80779070  1.0
  Nb  Nb3  1  0.19220930  0.80779070  0.19220930  1.0
  Nb  Nb4  1  0.19220930  0.80779070  0.80779070  1.0
  Nb  Nb5  1  0.80779070  0.19220930  0.19220930  1.0
  Nb  Nb6  1  0.44220930  0.44220930  0.05779070  1.0
  Nb  Nb7  1  0.05779070  0.05779070  0.44220930  1.0
  Nb  Nb8  1  0.44220930  0.05779070  0.44220930  1.0
  Nb  Nb9  1  0.05779070  0.44220930  0.05779070  1.0
  Nb  Nb10  1  0.05779070  0.44220930  0.44220930  1.0
  Nb  Nb11  1  0.44220930  0.05779070  0.05779070  1.0
  Fe  Fe12  1  0.12500000  0.62500000  0.62500000  1.0
  Fe  Fe13  1  0.62500000  0.12500000  0.62500000  1.0
  Fe  Fe14  1  0.62500000  0.62500000  0.12500000  1.0
  Fe  Fe15  1  0.62500000  0.62500000  0.62500000  1.0
  Ru  Ru16  1  0.75067565  0.41644212  0.41644212  1.0
  Ru  Ru17  1  0.41644212  0.75067565  0.41644212  1.0
  Ru  Ru18  1  0.41644212  0.41644212  0.75067565  1.0
  Ru  Ru19  1  0.41644212  0.41644212  0.41644212  1.0
  Ru  Ru20  1  0.49932435  0.83355788  0.83355788  1.0
  Ru  Ru21  1  0.83355788  0.49932435  0.83355788  1.0
  Ru  Ru22  1  0.83355788  0.83355788  0.49932435  1.0
  Ru  Ru23  1  0.83355788  0.83355788  0.83355788  1.0
  N  N24  1  0.62500000  0.12500000  0.12500000  1.0
  N  N25  1  0.12500000  0.62500000  0.12500000  1.0
  N  N26  1  0.12500000  0.12500000  0.62500000  1.0
  N  N27  1  0.12500000  0.12500000  0.12500000  1.0