data_Cd3Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   117.22
_cell_angle_beta   117.22
_cell_angle_gamma   117.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Re
_chemical_formula_sum   'Cd3 Re1'
_cell_volume   75.34
_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
  Cd  Cd0  1  0.4  0.62  0.95  1.0
  Cd  Cd1  1  0.0  0.77  0.95  1.0
  Cd  Cd2  1  0.6  0.62  0.95  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0

data_Cd3Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   117.22
_cell_angle_beta   99.7
_cell_angle_gamma   99.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Re
_chemical_formula_sum   'Cd3 Re1'
_cell_volume   75.34
_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
  Cd  Cd0  1  0.95  0.34  0.33  1.0
  Cd  Cd1  1  0.95  0.55  0.33  1.0
  Cd  Cd2  1  0.95  0.95  0.18  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0

Cd Cd Cd Re