data_Sn2SbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.83
_cell_length_b   9.83
_cell_length_c   9.83
_cell_angle_alpha   20.67
_cell_angle_beta   20.67
_cell_angle_gamma   20.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2SbAu
_chemical_formula_sum   'Sn2 Sb1 Au1'
_cell_volume   103.57
_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  Sn2  1  0.0  0.0  0.84  1.0
  Sn  Sn3  1  0.0  0.0  0.86  1.0
  Sb  Sb1  1  0.0  0.0  0.98  1.0
  Au  Au0  1  0.0  0.0  0.43  1.0

data_Sn2SbAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.11
_cell_length_b   3.53
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   101.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn2SbAu
_chemical_formula_sum   'Sn4 Sb2 Au2'
_cell_volume   207.14
_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  0.0  0.0  0.14  1.0
  Sn  Sn1  2  0.0  0.0  0.16  1.0
  Sb  Sb2  2  0.0  0.0  0.02  1.0
  Au  Au3  2  0.0  0.0  0.57  1.0

Sn Sn Sb Au
Sn Sn Sb Au 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 3 3 o + - 3 3 + - o 3 3 + o - 