data_CdRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   152.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRe
_chemical_formula_sum   'Cd2 Re2'
_cell_volume   72.51
_cell_formula_units_Z   2
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  0.43  0.31  0.28  1.0
  Cd  Cd1  1  0.43  0.69  0.09  1.0
  Re  Re2  1  0.43  0.41  0.28  1.0
  Re  Re3  1  0.43  0.59  0.09  1.0

data_CdRe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.85
_cell_length_b   4.37
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   103.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdRe
_chemical_formula_sum   'Cd2 Re2'
_cell_volume   72.51
_cell_formula_units_Z   2
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
  Cd  Cd0  2  0.31  0.41  0.81  1.0
  Re  Re1  2  0.41  0.41  0.91  1.0

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