data_CdReCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdReCl2
_chemical_formula_sum   'Cd1 Re1 Cl2'
_cell_volume   82.69
_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  0.34  1.0
  Re  Re3  1  0.57  0.0  0.72  1.0
  Cl  Cl1  1  0.57  0.0  0.37  1.0
  Cl  Cl2  1  0.0  0.0  0.46  1.0

data_CdReCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.24
_cell_length_b   5.51
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdReCl2
_chemical_formula_sum   'Cd2 Re2 Cl4'
_cell_volume   165.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.66  1.0
  Re  Re1  2  0.43  0.0  0.28  1.0
  Cl  Cl2  2  0.0  0.0  0.54  1.0
  Cl  Cl3  2  0.43  0.0  0.63  1.0

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