data_Pt(SCl3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   6.5
_cell_length_c   28.4
_cell_angle_alpha   105.09
_cell_angle_beta   97.6
_cell_angle_gamma   95.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt(SCl3)2
_chemical_formula_sum   'Pt1 S2 Cl6'
_cell_volume   790.52
_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  0.5  0.5  0.15  1.0
  S  S1  1  0.19  0.25  0.09  1.0
  S  S2  1  0.81  0.75  0.21  1.0
  Cl  Cl3  1  0.22  0.31  0.02  1.0
  Cl  Cl4  1  0.8  0.64  0.1  1.0
  Cl  Cl5  1  0.41  0.98  0.08  1.0
  Cl  Cl6  1  0.59  0.02  0.22  1.0
  Cl  Cl7  1  0.2  0.36  0.2  1.0
  Cl  Cl8  1  0.78  0.69  0.28  1.0

Pt S S Cl Cl Cl Cl Cl Cl 0 1 o o o 0 7 o o o 0 4 o o o 0 2 o o o 1 5 o - o 1 3 o o o 2 8 o o o 2 6 o + o 
data_Pt(SCl3)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.51
_cell_length_b   6.5
_cell_length_c   27.09
_cell_angle_alpha   87.28
_cell_angle_beta   89.61
_cell_angle_gamma   84.98
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Pt(SCl3)2
_chemical_formula_sum   'Pt1 S2 Cl6'
_cell_volume   790.52
_cell_formula_units_Z   1
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  1  0.5  0.0  0.5  1.0
  S  S1  2  0.25  0.18  0.44  1.0
  Cl  Cl2  2  0.15  0.18  0.55  1.0
  Cl  Cl3  2  0.35  0.06  0.37  1.0
  Cl  Cl4  2  0.47  0.45  0.43  1.0
