data_PbWCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   7.56
_cell_angle_alpha   156.52
_cell_angle_beta   156.52
_cell_angle_gamma   33.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbWCl
_chemical_formula_sum   'Pb1 W1 Cl1'
_cell_volume   68.4
_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  Pb1  1  0.0  0.0  0.41  1.0
  W  W2  1  0.0  0.0  0.42  1.0
  Cl  Cl0  1  0.0  0.0  0.64  1.0

data_PbWCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PbWCl
_chemical_formula_sum   'Pb2 W2 Cl2'
_cell_volume   136.81
_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
  Pb  Pb0  2  0.0  0.0  0.59  1.0
  W  W1  2  0.0  0.0  0.58  1.0
  Cl  Cl2  2  0.0  0.0  0.36  1.0

Pb W Cl
Pb W Cl 0 1 o o o 0 2 o o o 1 2 o o o 