data_PbWCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbWCl2
_chemical_formula_sum   'Pb1 W1 Cl2'
_cell_volume   86.85
_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
  Pb  Pb2  1  0.17  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.58  0.23  0.54  1.0
  Cl  Cl1  1  0.58  0.77  0.54  1.0

data_PbWCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   109.13
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbWCl2
_chemical_formula_sum   'Pb1 W1 Cl2'
_cell_volume   86.85
_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
  Pb  Pb0  1  0.0  0.17  0.0  1.0
  W  W1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.54  0.58  0.77  1.0
  Cl  Cl3  1  0.54  0.58  0.23  1.0

Pb W Cl Cl
Pb W Cl Cl 0 1 o o o 0 2 o o o 0 2 o o - 1 3 - - o 1 3 - - - 2 3 o o o 2 3 o - o 2 2 o o + 3 3 o o + 