# generated using pymatgen
data_Nb2CrRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.77881686
_cell_length_b   10.77881686
_cell_length_c   10.77881686
_cell_angle_alpha   126.22565119
_cell_angle_beta   118.80836399
_cell_angle_gamma   85.82238929
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CrRe
_chemical_formula_sum   'Nb2 Cr1 Re1'
_cell_volume   844.48359737
_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  0.27022700  0.27022700  1.0
  Nb  Nb1  1  0.00000000  0.72977300  0.72977300  1.0
  Cr  Cr2  1  0.00000000  0.00000000  0.00000000  1.0
  Re  Re3  1  0.00000000  0.50000000  0.50000000  1.0