data_SbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.02
_cell_length_c   7.36
_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   'Sb2 Au2'
_cell_volume   93.5
_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
  Sb  Sb2  1  0.0  0.0  0.38  1.0
  Sb  Sb3  1  0.58  0.01  0.98  1.0
  Au  Au0  1  0.0  0.0  0.49  1.0
  Au  Au1  1  0.58  0.01  0.87  1.0

data_SbAu
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   3.16
_cell_length_b   4.02
_cell_length_c   7.36
_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   'Sb2 Au2'
_cell_volume   93.5
_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, 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  0.29  0.0  0.8  1.0
  Au  Au1  2  0.29  0.0  0.69  1.0

Sb Sb Au Au
Sb Sb Au Au 0 2 o o o 1 3 o o o 