data_Sn4Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn4Au
_chemical_formula_sum   'Sn8 Au2'
_cell_volume   259.12
_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  0.07  0.45  0.2  1.0
  Sn  Sn3  1  0.24  0.45  0.5  1.0
  Sn  Sn4  1  0.07  0.55  0.39  1.0
  Sn  Sn5  1  0.24  0.55  0.09  1.0
  Sn  Sn6  1  0.39  0.45  0.09  1.0
  Sn  Sn7  1  0.56  0.45  0.39  1.0
  Sn  Sn8  1  0.39  0.55  0.5  1.0
  Sn  Sn9  1  0.56  0.55  0.2  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.32  0.0  0.3  1.0

data_Sn4Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.59
_cell_length_b   6.63
_cell_length_c   6.79
_cell_angle_alpha   119.23
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn4Au
_chemical_formula_sum   'Sn8 Au2'
_cell_volume   259.12
_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  0.45  0.69  1.0
  Sn  Sn1  1  0.09  0.55  0.94  1.0
  Sn  Sn2  1  0.2  0.45  0.0  1.0
  Sn  Sn3  1  0.2  0.55  0.63  1.0
  Sn  Sn4  1  0.39  0.45  0.52  1.0
  Sn  Sn5  1  0.39  0.55  0.11  1.0
  Sn  Sn6  1  0.5  0.45  0.84  1.0
  Sn  Sn7  1  0.5  0.55  0.79  1.0
  Au  Au8  1  0.0  0.0  0.0  1.0
  Au  Au9  1  0.3  0.0  0.32  1.0

Sn Sn Sn Sn Sn Sn Sn Sn Au Au