data_Ti2AlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   4.52
_cell_angle_alpha   111.4
_cell_angle_beta   111.4
_cell_angle_gamma   35.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AlPt
_chemical_formula_sum   'Ti2 Al1 Pt1'
_cell_volume   64.35
_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  0.39  0.0  0.09  1.0
  Ti  Ti3  1  0.17  0.0  0.24  1.0
  Al  Al0  1  0.98  0.0  0.91  1.0
  Pt  Pt1  1  0.93  0.0  0.18  1.0

data_Ti2AlPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.52
_cell_length_c   5.17
_cell_angle_alpha   111.4
_cell_angle_beta   107.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AlPt
_chemical_formula_sum   'Ti2 Al1 Pt1'
_cell_volume   64.35
_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  0.09  0.39  1.0
  Ti  Ti1  1  0.0  0.24  0.17  1.0
  Al  Al2  1  0.0  0.91  0.98  1.0
  Pt  Pt3  1  0.0  0.18  0.93  1.0

Ti Ti Al Pt