data_Ti2AlPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   4.17
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   92.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AlPb
_chemical_formula_sum   'Ti2 Al1 Pb1'
_cell_volume   75.43
_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  0.4  0.08  0.6  1.0
  Ti  Ti3  1  0.38  0.08  0.37  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.88  0.0  0.98  1.0

data_Ti2AlPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.17
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   92.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AlPb
_chemical_formula_sum   'Ti2 Al1 Pb1'
_cell_volume   75.43
_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  0.38  0.08  0.37  1.0
  Ti  Ti1  1  0.4  0.08  0.6  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.88  0.0  0.98  1.0

Ti Ti Al Pb