data_SnAuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   3.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAuCl2
_chemical_formula_sum   'Sn1 Au1 Cl2'
_cell_volume   92.64
_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
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.59  0.0  0.0  1.0
  Cl  Cl1  1  0.8  0.02  0.63  1.0
  Cl  Cl2  1  0.8  0.98  0.63  1.0

data_SnAuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   95.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnAuCl2
_chemical_formula_sum   'Sn1 Au1 Cl2'
_cell_volume   92.64
_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
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  -0.0  0.59  0.0  1.0
  Cl  Cl2  1  0.63  0.8  0.02  1.0
  Cl  Cl3  1  0.63  0.8  0.98  1.0

Sn Au Cl Cl
Sn Au Cl Cl 0 3 - - - 0 2 - o - 1 3 o - - 1 2 o o - 2 3 o - o 