data_Sn2AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   9.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2AuCl
_chemical_formula_sum   'Sn2 Au1 Cl1'
_cell_volume   99.62
_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  Sn2  1  0.75  0.0  0.23  1.0
  Sn  Sn3  1  0.0  0.0  0.8  1.0
  Au  Au0  1  0.75  0.0  0.71  1.0
  Cl  Cl1  1  0.0  0.0  0.53  1.0

data_Sn2AuCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.47
_cell_length_b   6.04
_cell_length_c   9.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn2AuCl
_chemical_formula_sum   'Sn4 Au2 Cl2'
_cell_volume   199.24
_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
  Sn  Sn0  2  0.0  0.0  0.8  1.0
  Sn  Sn1  2  0.25  0.5  0.23  1.0
  Au  Au2  2  0.25  0.5  0.71  1.0
  Cl  Cl3  2  0.0  0.0  0.53  1.0

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