data_Sn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.12
_cell_length_b   13.12
_cell_length_c   13.12
_cell_angle_alpha   165.06
_cell_angle_beta   165.06
_cell_angle_gamma   21.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Au
_chemical_formula_sum   'Sn4 Au2'
_cell_volume   150.11
_cell_formula_units_Z   2
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  0.71  0.0  0.25  1.0
  Sn  Sn3  1  0.0  0.0  0.09  1.0
  Sn  Sn4  1  0.71  0.0  0.64  1.0
  Sn  Sn5  1  0.0  0.0  0.7  1.0
  Au  Au0  1  0.0  0.71  0.45  1.0
  Au  Au1  1  0.0  0.0  0.0  1.0

data_Sn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   13.12
_cell_angle_alpha   97.47
_cell_angle_beta   97.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Au
_chemical_formula_sum   'Sn4 Au2'
_cell_volume   150.11
_cell_formula_units_Z   2
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  0.09  0.09  0.09  1.0
  Sn  Sn1  1  0.25  0.55  0.55  1.0
  Sn  Sn2  1  0.64  0.94  0.94  1.0
  Sn  Sn3  1  0.7  0.7  0.7  1.0
  Au  Au4  1  0.0  0.0  0.0  1.0
  Au  Au5  1  0.74  0.45  0.74  1.0

Sn Sn Sn Sn Au Au