data_NbReBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbReBi
_chemical_formula_sum   'Nb1 Re1 Bi1'
_cell_volume   57.93
_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  Nb1  1  0.0  0.0  0.13  1.0
  Re  Re2  1  0.0  0.71  0.37  1.0
  Bi  Bi0  1  0.34  0.35  0.59  1.0

data_NbReBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbReBi
_chemical_formula_sum   'Nb1 Re1 Bi1'
_cell_volume   57.93
_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  0.13  0.0  0.0  1.0
  Re  Re1  1  0.37  0.0  0.71  1.0
  Bi  Bi2  1  0.59  0.34  0.35  1.0

Nb Re Bi