data_TiWAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiWAu2
_chemical_formula_sum   'Ti1 W1 Au2'
_cell_volume   68.45
_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  Ti2  1  0.0  0.0  0.43  1.0
  W  W3  1  0.75  0.0  0.34  1.0
  Au  Au0  1  0.0  0.0  0.1  1.0
  Au  Au1  1  0.75  0.0  0.6  1.0

data_TiWAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiWAu2
_chemical_formula_sum   'Ti1 W1 Au2'
_cell_volume   68.45
_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  0.43  1.0
  W  W1  1  0.75  0.0  0.34  1.0
  Au  Au2  1  0.0  0.0  0.1  1.0
  Au  Au3  1  0.75  0.0  0.6  1.0

Ti W Au Au