data_TiSbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   4.06
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   103.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSbAu2
_chemical_formula_sum   'Ti1 Sb1 Au2'
_cell_volume   79.3
_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
  Ti  Ti3  1  0.26  0.0  0.83  1.0
  Sb  Sb2  1  0.81  0.03  0.38  1.0
  Au  Au0  1  0.7  0.03  0.28  1.0
  Au  Au1  1  0.71  0.0  0.33  1.0

data_TiSbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.06
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   103.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSbAu2
_chemical_formula_sum   'Ti1 Sb1 Au2'
_cell_volume   79.3
_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
  Ti  Ti0  1  0.26  0.0  0.83  1.0
  Sb  Sb1  1  0.81  0.03  0.38  1.0
  Au  Au2  1  0.7  0.03  0.28  1.0
  Au  Au3  1  0.71  0.0  0.33  1.0

Ti Sb Au Au