data_NbCd2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   9.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2Re
_chemical_formula_sum   'Nb1 Cd2 Re1'
_cell_volume   75.27
_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  Nb2  1  0.0  0.0  0.63  1.0
  Cd  Cd0  1  0.0  0.0  0.15  1.0
  Cd  Cd1  1  0.62  0.0  0.18  1.0
  Re  Re3  1  0.62  0.0  0.6  1.0

data_NbCd2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   9.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2Re
_chemical_formula_sum   'Nb1 Cd2 Re1'
_cell_volume   75.27
_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  0.0  0.0  0.63  1.0
  Cd  Cd1  1  0.0  0.0  0.15  1.0
  Cd  Cd2  1  0.62  0.0  0.18  1.0
  Re  Re3  1  0.62  0.0  0.6  1.0

Nb Cd Cd Re