data_NbCdRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   4.0
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdRe2
_chemical_formula_sum   'Nb1 Cd1 Re2'
_cell_volume   68.41
_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  0.59  1.0
  Cd  Cd0  1  0.45  1.0  0.92  1.0
  Re  Re2  1  0.45  1.0  0.08  1.0
  Re  Re3  1  0.0  0.0  0.25  1.0

data_NbCdRe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.9
_cell_length_b   4.0
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbCdRe2
_chemical_formula_sum   'Nb1 Cd1 Re2'
_cell_volume   68.41
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.59  1.0
  Cd  Cd1  1  0.45  0.0  0.92  1.0
  Re  Re2  1  0.0  0.0  0.25  1.0
  Re  Re3  1  0.45  0.0  0.08  1.0

Nb Cd Re Re