data_CdCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   117.07
_cell_angle_beta   117.07
_cell_angle_gamma   95.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCl4
_chemical_formula_sum   'Cd1 Cl4'
_cell_volume   136.68
_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
  Cl  Cl1  1  0.98  0.0  0.93  1.0
  Cl  Cl2  1  0.0  0.98  0.93  1.0
  Cl  Cl3  1  0.0  0.0  0.33  1.0
  Cl  Cl4  1  0.0  0.0  0.37  1.0

data_CdCl4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.7
_cell_length_b   8.43
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   132.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdCl4
_chemical_formula_sum   'Cd2 Cl8'
_cell_volume   273.36
_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  0.0  1.0
  Cl  Cl1  4  0.06  0.01  0.07  1.0
  Cl  Cl2  2  0.13  0.5  0.63  1.0
  Cl  Cl3  2  0.17  0.5  0.67  1.0

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