data_Ti2CdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   136.06
_cell_angle_beta   136.06
_cell_angle_gamma   63.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdPb
_chemical_formula_sum   'Ti2 Cd1 Pb1'
_cell_volume   80.31
_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  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.07  0.0  0.35  1.0
  Cd  Cd0  1  0.0  0.0  0.69  1.0
  Pb  Pb1  1  0.0  0.07  0.35  1.0

data_Ti2CdPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   5.53
_cell_angle_alpha   111.97
_cell_angle_beta   111.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdPb
_chemical_formula_sum   'Ti2 Cd1 Pb1'
_cell_volume   80.31
_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
  Ti  Ti1  1  0.35  0.28  0.28  1.0
  Cd  Cd2  1  0.69  0.69  0.69  1.0
  Pb  Pb3  1  0.28  0.35  0.28  1.0

Ti Ti Cd Pb