# generated using pymatgen
data_NbFeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.28619712
_cell_length_b   10.28619712
_cell_length_c   10.28619712
_cell_angle_alpha   127.75744612
_cell_angle_beta   116.91061238
_cell_angle_gamma   86.27774519
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeRu2
_chemical_formula_sum   'Nb1 Fe1 Ru2'
_cell_volume   731.69000661
_cell_formula_units_Z   1
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  0.00000000  0.50000000  0.50000000  1.0
  Fe  Fe1  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru2  1  0.00000000  0.26126000  0.26126000  1.0
  Ru  Ru3  1  0.00000000  0.73874000  0.73874000  1.0