data_PtCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.43
_cell_length_c   25.53
_cell_angle_alpha   103.34
_cell_angle_beta   94.26
_cell_angle_gamma   104.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtCl2
_chemical_formula_sum   'Pt2 Cl4'
_cell_volume   494.43
_cell_formula_units_Z   2
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  0.72  0.47  1.0
  Pt  Pt1  1  0.21  0.28  0.53  1.0
  Cl  Cl2  1  0.77  0.9  0.4  1.0
  Cl  Cl3  1  0.74  0.46  0.54  1.0
  Cl  Cl4  1  0.26  0.54  0.46  1.0
  Cl  Cl5  1  0.23  0.1  0.6  1.0

Pt Pt Cl Cl Cl Cl 0 4 o o o 0 4 + o o 0 2 o o o 0 3 o o o 1 4 o o o 1 3 - o o 1 3 o o o 1 5 o o o 
data_PtCl2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.43
_cell_length_b   4.68
_cell_length_c   24.69
_cell_angle_alpha   91.46
_cell_angle_beta   94.25
_cell_angle_gamma   104.07
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PtCl2
_chemical_formula_sum   'Pt2 Cl4'
_cell_volume   494.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.22  0.69  0.47  1.0
  Cl  Cl1  2  0.11  0.37  0.6  1.0
  Cl  Cl2  2  0.37  0.2  0.46  1.0

Pt Pt Cl Cl Cl Cl