data_PbWCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   3.38
_cell_angle_alpha   106.67
_cell_angle_beta   106.67
_cell_angle_gamma   112.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbWCl2
_chemical_formula_sum   'Pb1 W1 Cl2'
_cell_volume   86.75
_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  0.72  0.36  0.45  1.0
  Cl  Cl1  1  0.72  0.64  0.45  1.0

data_PbWCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.45
_cell_length_c   5.69
_cell_angle_alpha   118.2
_cell_angle_beta   106.67
_cell_angle_gamma   91.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbWCl2
_chemical_formula_sum   'Pb1 W1 Cl2'
_cell_volume   86.75
_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  0.0  0.17  1.0
  W  W1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.09  0.64  0.36  1.0
  Cl  Cl3  1  0.81  0.36  0.08  1.0

Pb W Cl Cl