data_TiPt2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.74
_cell_angle_alpha   102.0
_cell_angle_beta   102.0
_cell_angle_gamma   35.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPt2Au
_chemical_formula_sum   'Ti1 Pt2 Au1'
_cell_volume   65.24
_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  0.16  0.0  0.23  1.0
  Pt  Pt1  1  0.99  0.0  0.62  1.0
  Pt  Pt2  1  0.87  0.0  0.23  1.0
  Au  Au0  1  0.55  0.0  0.48  1.0

data_TiPt2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.74
_cell_length_c   4.95
_cell_angle_alpha   102.0
_cell_angle_beta   107.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPt2Au
_chemical_formula_sum   'Ti1 Pt2 Au1'
_cell_volume   65.24
_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  0.23  0.16  1.0
  Pt  Pt1  1  0.0  0.23  0.87  1.0
  Pt  Pt2  1  0.0  0.62  0.99  1.0
  Au  Au3  1  0.0  0.48  0.55  1.0

Ti Pt Pt Au