data_TiRhAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.68
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRhAu2
_chemical_formula_sum   'Ti1 Rh1 Au2'
_cell_volume   66.47
_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
  Ti  Ti3  1  0.0  0.0  0.26  1.0
  Rh  Rh2  1  0.54  0.84  0.07  1.0
  Au  Au0  1  0.54  0.84  0.84  1.0
  Au  Au1  1  0.0  0.0  0.5  1.0

data_TiRhAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.68
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRhAu2
_chemical_formula_sum   'Ti1 Rh1 Au2'
_cell_volume   66.47
_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
  Ti  Ti0  1  0.0  0.0  0.26  1.0
  Rh  Rh1  1  0.54  0.84  0.07  1.0
  Au  Au2  1  0.0  0.0  0.5  1.0
  Au  Au3  1  0.54  0.84  0.84  1.0

Ti Rh Au Au
Ti Rh Au Au 0 3 o o o 1 2 o o - 