data_SiSb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   4.47
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   91.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSb2Au
_chemical_formula_sum   'Si1 Sb2 Au1'
_cell_volume   99.47
_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
  Si  Si3  1  0.97  0.0  0.89  1.0
  Sb  Sb1  1  0.03  0.0  0.54  1.0
  Sb  Sb2  1  0.73  0.23  0.6  1.0
  Au  Au0  1  0.11  0.23  0.79  1.0

data_SiSb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.47
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   91.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSb2Au
_chemical_formula_sum   'Si1 Sb2 Au1'
_cell_volume   99.47
_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
  Si  Si0  1  0.97  0.0  0.89  1.0
  Sb  Sb1  1  0.03  0.0  0.54  1.0
  Sb  Sb2  1  0.73  0.23  0.6  1.0
  Au  Au3  1  0.11  0.23  0.79  1.0

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