data_TiAgAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   4.54
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAgAu2
_chemical_formula_sum   'Ti1 Ag1 Au2'
_cell_volume   71.62
_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
  Ag  Ag0  1  0.65  0.0  0.38  1.0
  Au  Au1  1  0.65  0.27  0.0  1.0
  Au  Au2  1  0.0  0.27  0.38  1.0

data_TiAgAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.54
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAgAu2
_chemical_formula_sum   'Ti1 Ag1 Au2'
_cell_volume   71.62
_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
  Ag  Ag1  1  0.65  0.0  0.38  1.0
  Au  Au2  1  0.0  0.27  0.38  1.0
  Au  Au3  1  0.65  0.27  0.0  1.0

Ti Ag Au Au
Ti Ag Au Au 0 2 - o o 1 3 + o o 