data_Cd3Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   4.53
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   96.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Re
_chemical_formula_sum   'Cd3 Re1'
_cell_volume   75.81
_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  0.01  0.26  0.33  1.0
  Cd  Cd1  1  0.13  0.26  0.57  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.65  0.0  0.95  1.0

data_Cd3Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.53
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   96.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Re
_chemical_formula_sum   'Cd3 Re1'
_cell_volume   75.81
_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  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.01  0.26  0.33  1.0
  Cd  Cd2  1  0.13  0.26  0.57  1.0
  Re  Re3  1  0.65  0.0  0.95  1.0

Cd Cd Cd Re
Cd Cd Cd Re 0 1 o o o 2 3 - o - 