data_CdW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   7.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdW2Cl
_chemical_formula_sum   'Cd1 W2 Cl1'
_cell_volume   79.72
_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  0.59  0.59  0.6  1.0
  W  W2  1  0.59  0.59  0.29  1.0
  W  W3  1  0.0  0.0  0.64  1.0
  Cl  Cl1  1  0.0  0.0  0.31  1.0

data_CdW2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   7.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdW2Cl
_chemical_formula_sum   'Cd2 W4 Cl2'
_cell_volume   159.44
_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  0.09  0.5  0.6  1.0
  W  W1  2  0.0  0.0  0.64  1.0
  W  W2  2  0.09  0.5  0.29  1.0
  Cl  Cl3  2  0.0  0.0  0.31  1.0

Cd W W Cl
Cd W W Cl 0 2 o + o 0 2 + o o 0 2 + + o 1 3 o + o 1 3 + o o 1 3 + + o 