data_PtCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtCl3
_chemical_formula_sum   'Pt2 Cl6'
_cell_volume   230.41
_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  Pt6  1  0.6  0.59  0.16  1.0
  Pt  Pt7  1  0.6  0.41  0.47  1.0
  Cl  Cl0  1  0.6  0.78  0.47  1.0
  Cl  Cl1  1  0.6  0.22  0.16  1.0
  Cl  Cl2  1  0.66  0.66  0.47  1.0
  Cl  Cl3  1  0.53  0.34  0.16  1.0
  Cl  Cl4  1  0.53  0.66  0.47  1.0
  Cl  Cl5  1  0.66  0.34  0.16  1.0

data_PtCl3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.62
_cell_length_b   7.11
_cell_length_c   7.11
_cell_angle_alpha   99.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PtCl3
_chemical_formula_sum   'Pt2 Cl6'
_cell_volume   230.41
_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  0.16  0.5  0.41  1.0
  Cl  Cl1  2  0.16  0.44  0.66  1.0
  Cl  Cl2  2  0.16  0.5  0.78  1.0
  Cl  Cl3  2  0.16  0.56  0.66  1.0

Pt Pt Cl Cl Cl Cl Cl Cl