data_CuPtCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPtCl2
_chemical_formula_sum   'Cu1 Pt1 Cl2'
_cell_volume   82.64
_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
  Cu  Cu2  1  0.0  0.0  0.9  1.0
  Pt  Pt3  1  0.75  0.75  0.51  1.0
  Cl  Cl0  1  0.0  0.0  0.18  1.0
  Cl  Cl1  1  0.75  0.75  0.21  1.0

data_CuPtCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuPtCl2
_chemical_formula_sum   'Cu2 Pt2 Cl4'
_cell_volume   165.27
_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
  Cu  Cu0  2  0.0  0.0  0.9  1.0
  Pt  Pt1  2  0.25  0.5  0.51  1.0
  Cl  Cl2  2  0.0  0.0  0.18  1.0
  Cl  Cl3  2  0.25  0.5  0.21  1.0

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