data_Pt2WCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.93
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   91.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2WCl
_chemical_formula_sum   'Pt2 W1 Cl1'
_cell_volume   68.25
_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
  Pt  Pt1  1  0.79  0.47  0.24  1.0
  Pt  Pt2  1  0.9  0.47  0.82  1.0
  W  W3  1  0.35  0.0  0.03  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Pt2WCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   2.93
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   91.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2WCl
_chemical_formula_sum   'Pt2 W1 Cl1'
_cell_volume   68.25
_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
  Pt  Pt0  1  0.79  0.47  0.24  1.0
  Pt  Pt1  1  0.9  0.47  0.82  1.0
  W  W2  1  0.35  0.0  0.03  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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