data_Sn8Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51
_cell_length_b   7.51
_cell_length_c   7.51
_cell_angle_alpha   95.66
_cell_angle_beta   95.66
_cell_angle_gamma   143.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn8Au
_chemical_formula_sum   'Sn8 Au1'
_cell_volume   239.49
_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  Sn1  1  0.62  0.38  0.36  1.0
  Sn  Sn2  1  0.38  0.62  0.36  1.0
  Sn  Sn3  1  0.29  0.0  0.0  1.0
  Sn  Sn4  1  0.62  0.62  0.36  1.0
  Sn  Sn5  1  0.0  0.29  0.0  1.0
  Sn  Sn6  1  0.42  0.42  0.0  1.0
  Sn  Sn7  1  0.79  0.0  0.0  1.0
  Sn  Sn8  1  0.0  0.79  0.0  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Sn8Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   14.25
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   108.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn8Au
_chemical_formula_sum   'Sn16 Au2'
_cell_volume   478.97
_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  4  0.11  0.11  -0.0  1.0
  Sn  Sn1  4  0.35  0.35  0.0  1.0
  Sn  Sn2  4  0.36  0.38  0.36  1.0
  Sn  Sn3  2  0.08  0.5  0.0  1.0
  Sn  Sn4  2  0.24  0.5  0.36  1.0
  Au  Au5  2  0.0  0.0  0.0  1.0

Sn Sn Sn Sn Sn Sn Sn Sn Au