data_TiCdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.05
_cell_length_b   10.05
_cell_length_c   10.05
_cell_angle_alpha   19.49
_cell_angle_beta   19.49
_cell_angle_gamma   19.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCdPb2
_chemical_formula_sum   'Ti1 Cd1 Pb2'
_cell_volume   98.95
_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  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.79  1.0
  Pb  Pb1  1  0.0  0.0  0.04  1.0
  Pb  Pb2  1  0.0  0.0  0.54  1.0

data_TiCdPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.9
_cell_length_b   3.4
_cell_length_c   10.05
_cell_angle_alpha   90.0
_cell_angle_beta   101.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiCdPb2
_chemical_formula_sum   'Ti2 Cd2 Pb4'
_cell_volume   197.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.21  1.0
  Pb  Pb2  2  0.0  0.0  0.46  1.0
  Pb  Pb3  2  0.0  0.0  0.96  1.0

Ti Cd Pb Pb
Ti Cd Pb Pb 0 2 o o o 0 1 o o - 1 3 o o o 1 2 o o + 