# generated using pymatgen
data_Nb2ReRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36227847
_cell_length_b   9.36227847
_cell_length_c   9.36227847
_cell_angle_alpha   122.81226017
_cell_angle_beta   119.91524257
_cell_angle_gamma   87.67278436
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ReRu
_chemical_formula_sum   'Nb2 Re1 Ru1'
_cell_volume   567.32199259
_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  0.24868800  0.24868800  1.0
  Nb  Nb1  1  0.00000000  0.75131200  0.75131200  1.0
  Re  Re2  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru3  1  0.00000000  0.00000000  0.00000000  1.0