data_CdCuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   3.54
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   100.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuCl2
_chemical_formula_sum   'Cd1 Cu1 Cl2'
_cell_volume   89.52
_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  0.31  0.77  0.8  1.0
  Cu  Cu3  1  0.07  0.0  0.39  1.0
  Cl  Cl1  1  0.92  0.0  0.41  1.0
  Cl  Cl2  1  0.33  0.77  0.59  1.0

data_CdCuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.72
_cell_length_c   6.92
_cell_angle_alpha   100.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuCl2
_chemical_formula_sum   'Cd1 Cu1 Cl2'
_cell_volume   89.52
_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  0.23  0.69  0.2  1.0
  Cu  Cu1  1  0.0  0.93  0.61  1.0
  Cl  Cl2  1  0.0  0.08  0.59  1.0
  Cl  Cl3  1  0.23  0.67  0.41  1.0

Cd Cu Cl Cl
Cd Cu Cl Cl 0 3 o o o 1 2 - o o 