data_PtCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   6.97
_cell_angle_alpha   150.22
_cell_angle_beta   150.22
_cell_angle_gamma   42.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtCl3
_chemical_formula_sum   'Pt1 Cl3'
_cell_volume   83.27
_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  Pt3  1  0.0  0.0  0.49  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.0  0.79  0.25  1.0
  Cl  Cl2  1  0.79  0.0  0.25  1.0

data_PtCl3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   111.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PtCl3
_chemical_formula_sum   'Pt2 Cl6'
_cell_volume   166.55
_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
  Pt  Pt0  2  0.49  0.0  0.49  1.0
  Cl  Cl1  4  0.35  0.1  0.46  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

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