data_Li2CdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   3.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CdPb
_chemical_formula_sum   'Li2 Cd1 Pb1'
_cell_volume   82.45
_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
  Li  Li1  1  0.68  0.77  0.73  1.0
  Li  Li2  1  0.68  0.23  0.73  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.36  0.0  0.0  1.0

data_Li2CdPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   93.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CdPb
_chemical_formula_sum   'Li2 Cd1 Pb1'
_cell_volume   82.45
_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
  Li  Li0  1  0.73  0.68  0.23  1.0
  Li  Li1  1  0.73  0.68  0.77  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  -0.0  0.36  0.0  1.0

Li Li Cd Pb
Li Li Cd Pb 0 3 o + + 0 1 o + o 0 2 + + + 1 3 o o + 1 2 + o + 2 3 o o o 