data_CdCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   4.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCl3
_chemical_formula_sum   'Cd2 Cl6'
_cell_volume   169.78
_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  0.0  0.04  0.0  1.0
  Cd  Cd1  1  0.5  0.02  0.0  1.0
  Cl  Cl2  1  0.0  0.23  0.0  1.0
  Cl  Cl3  1  0.57  0.95  0.0  1.0
  Cl  Cl4  1  0.43  0.95  0.0  1.0
  Cl  Cl5  1  0.5  0.83  0.0  1.0
  Cl  Cl6  1  0.93  0.12  0.0  1.0
  Cl  Cl7  1  0.07  0.12  0.0  1.0

data_CdCl3
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   7.0
_cell_length_b   4.0
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   CdCl3
_chemical_formula_sum   'Cd2 Cl6'
_cell_volume   169.78
_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, y, -z'
  4  '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  0.25  0.0  0.99  1.0
  Cl  Cl1  2  0.18  0.0  0.91  1.0
  Cl  Cl2  2  0.25  0.0  0.8  1.0
  Cl  Cl3  2  0.32  0.0  0.91  1.0

Cd Cd Cl Cl Cl Cl Cl Cl
Cd Cd Cl Cl Cl Cl Cl Cl 0 7 o o o 0 6 - o o 1 4 o - o 1 3 o - o 2 6 - o o 3 5 o o o 