# generated using pymatgen
data_Nb2CuRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.41322679
_cell_length_b   10.41322679
_cell_length_c   10.41322679
_cell_angle_alpha   123.31729601
_cell_angle_beta   119.37434884
_cell_angle_gamma   87.71966976
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CuRe
_chemical_formula_sum   'Nb2 Cu1 Re1'
_cell_volume   780.30714729
_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  0.26688100  0.26688100  1.0
  Nb  Nb1  1  0.00000000  0.73311900  0.73311900  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  Re  Re3  1  0.00000000  0.50000000  0.50000000  1.0