data_SiPtCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   146.48
_cell_angle_beta   118.07
_cell_angle_gamma   72.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPtCl2
_chemical_formula_sum   'Si1 Pt1 Cl2'
_cell_volume   75.57
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.36  1.0
  Cl  Cl0  1  0.0  0.78  0.96  1.0
  Cl  Cl1  1  0.56  0.0  0.4  1.0

data_SiPtCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   61.93
_cell_angle_beta   73.24
_cell_angle_gamma   73.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPtCl2
_chemical_formula_sum   'Si1 Pt1 Cl2'
_cell_volume   75.57
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  -0.0  0.36  1.0
  Cl  Cl2  1  0.0  0.44  0.4  1.0
  Cl  Cl3  1  0.78  -0.0  0.18  1.0

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