data_Sn4Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.45
_cell_length_b   14.45
_cell_length_c   14.45
_cell_angle_alpha   166.52
_cell_angle_beta   166.52
_cell_angle_gamma   19.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn4Au3
_chemical_formula_sum   'Sn4 Au3'
_cell_volume   163.97
_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  0.54  1.0
  Sn  Sn4  1  0.0  0.0  0.96  1.0
  Sn  Sn5  1  0.0  0.0  0.39  1.0
  Sn  Sn6  1  0.0  0.0  0.11  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.0  0.98  1.0
  Au  Au2  1  0.0  0.0  0.52  1.0

data_Sn4Au3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   14.45
_cell_angle_alpha   90.0
_cell_angle_beta   99.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn4Au3
_chemical_formula_sum   'Sn8 Au6'
_cell_volume   327.93
_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  0.04  0.5  0.54  1.0
  Sn  Sn1  2  0.11  0.0  0.11  1.0
  Sn  Sn2  2  0.39  0.0  0.39  1.0
  Sn  Sn3  2  0.46  0.5  0.96  1.0
  Au  Au4  2  0.0  0.0  0.0  1.0
  Au  Au5  2  0.02  0.5  0.52  1.0
  Au  Au6  2  0.48  0.5  0.98  1.0

Sn Sn Sn Sn Au Au Au