data_PtAuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   139.32
_cell_angle_beta   104.52
_cell_angle_gamma   89.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtAuCl2
_chemical_formula_sum   'Pt1 Au1 Cl2'
_cell_volume   94.22
_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  0.78  1.0
  Au  Au0  1  0.0  0.29  0.81  1.0
  Cl  Cl1  1  0.0  0.0  0.21  1.0
  Cl  Cl2  1  0.87  0.0  0.48  1.0

data_PtAuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   75.48
_cell_angle_beta   69.66
_cell_angle_gamma   69.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtAuCl2
_chemical_formula_sum   'Pt1 Au1 Cl2'
_cell_volume   94.22
_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  0.78  -0.0  0.22  1.0
  Au  Au1  1  0.81  0.0  0.48  1.0
  Cl  Cl2  1  0.21  -0.0  0.79  1.0
  Cl  Cl3  1  0.61  0.87  0.52  1.0

Pt Au Cl Cl