data_Cd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   46.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Cl
_chemical_formula_sum   'Cd4 Cl2'
_cell_volume   142.15
_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  0.78  0.9  0.24  1.0
  Cd  Cd1  1  0.75  0.1  0.71  1.0
  Cd  Cd2  1  0.75  0.9  0.24  1.0
  Cd  Cd3  1  0.78  0.1  0.71  1.0
  Cl  Cl4  1  0.76  0.26  0.24  1.0
  Cl  Cl5  1  0.76  0.74  0.71  1.0

data_Cd2Cl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.94
_cell_length_b   4.99
_cell_length_c   6.28
_cell_angle_alpha   113.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cd2Cl
_chemical_formula_sum   'Cd4 Cl2'
_cell_volume   142.15
_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  0.26  0.9  0.89  1.0
  Cd  Cd1  2  0.26  0.9  0.92  1.0
  Cl  Cl2  2  0.26  0.26  0.26  1.0

Cd Cd Cd Cd Cl Cl
Cd Cd Cd Cd Cl Cl 0 2 o o o 0 4 o + o 0 5 o o o 1 3 o o o 1 4 o o o 1 5 o - o 2 4 o + o 2 5 o o o 2 5 o o - 3 4 o o + 3 4 o o o 3 5 o - o 