data_SbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23
_cell_length_b   4.0
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbAu
_chemical_formula_sum   'Sb4 Au4'
_cell_volume   191.13
_cell_formula_units_Z   4
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
  Sb  Sb4  1  0.7  1.0  0.63  1.0
  Sb  Sb5  1  0.42  1.0  0.53  1.0
  Sb  Sb6  1  0.81  1.0  0.28  1.0
  Sb  Sb7  1  0.54  1.0  0.18  1.0
  Au  Au0  1  0.24  1.0  0.59  1.0
  Au  Au1  1  0.87  1.0  0.69  1.0
  Au  Au2  1  0.36  1.0  0.12  1.0
  Au  Au3  1  0.99  1.0  0.21  1.0

data_SbAu
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   5.8
_cell_length_b   4.0
_cell_length_c   8.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   SbAu
_chemical_formula_sum   'Sb4 Au4'
_cell_volume   191.13
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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
  Sb  Sb0  2  0.13  0.0  0.3  1.0
  Sb  Sb1  2  0.22  0.0  0.58  1.0
  Au  Au2  2  0.19  0.0  0.13  1.0
  Au  Au3  2  0.29  0.0  0.76  1.0

Sb Sb Sb Sb Au Au Au Au
Sb Sb Sb Sb Au Au Au Au 0 5 o o o 1 4 o o o 2 7 o o o 3 6 o o o 