data_Sn5Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn5Au3
_chemical_formula_sum   'Sn5 Au3'
_cell_volume   191.12
_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
  Sn  Sn4  1  0.04  0.54  0.0  1.0
  Sn  Sn5  1  0.04  0.46  0.0  1.0
  Sn  Sn6  1  0.38  0.0  0.3  1.0
  Sn  Sn7  1  0.77  0.0  0.3  1.0
  Au  Au0  1  0.08  0.0  0.0  1.0
  Au  Au1  1  0.08  0.95  0.3  1.0
  Au  Au2  1  0.08  0.05  0.3  1.0

data_Sn5Au3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.61
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   102.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn5Au3
_chemical_formula_sum   'Sn5 Au3'
_cell_volume   191.12
_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
  Sn  Sn1  1  0.0  0.04  0.46  1.0
  Sn  Sn2  1  0.0  0.04  0.54  1.0
  Sn  Sn3  1  0.3  0.38  0.0  1.0
  Sn  Sn4  1  0.3  0.77  0.0  1.0
  Au  Au5  1  0.0  0.08  0.0  1.0
  Au  Au6  1  0.3  0.08  0.95  1.0
  Au  Au7  1  0.3  0.08  0.05  1.0

Sn Sn Sn Sn Sn Au Au Au