data_Ti2CdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   4.98
_cell_angle_alpha   113.68
_cell_angle_beta   113.68
_cell_angle_gamma   31.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdPb
_chemical_formula_sum   'Ti2 Cd1 Pb1'
_cell_volume   82.0
_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  0.17  0.0  0.08  1.0
  Ti  Ti3  1  0.84  0.0  0.09  1.0
  Cd  Cd0  1  0.5  0.0  0.2  1.0
  Pb  Pb1  1  0.28  0.0  0.42  1.0

data_Ti2CdPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.98
_cell_length_c   5.86
_cell_angle_alpha   113.68
_cell_angle_beta   105.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdPb
_chemical_formula_sum   'Ti2 Cd1 Pb1'
_cell_volume   82.0
_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  0.08  0.17  1.0
  Ti  Ti1  1  0.0  0.09  0.84  1.0
  Cd  Cd2  1  0.0  0.2  0.5  1.0
  Pb  Pb3  1  0.0  0.42  0.28  1.0

Ti Ti Cd Pb