data_TiSb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.22
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   98.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSb2Au
_chemical_formula_sum   'Ti1 Sb2 Au1'
_cell_volume   89.27
_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  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.76  0.61  0.57  1.0
  Sb  Sb2  1  1.0  0.61  0.59  1.0
  Au  Au0  1  0.44  0.0  0.58  1.0

data_TiSb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.87
_cell_length_c   7.25
_cell_angle_alpha   98.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSb2Au
_chemical_formula_sum   'Ti1 Sb2 Au1'
_cell_volume   89.27
_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  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.39  0.0  0.41  1.0
  Sb  Sb2  1  0.39  0.24  0.43  1.0
  Au  Au3  1  0.0  0.56  0.42  1.0

Ti Sb Sb Au