data_LiCdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88
_cell_length_b   9.88
_cell_length_c   9.88
_cell_angle_alpha   20.47
_cell_angle_beta   20.47
_cell_angle_gamma   20.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCdPb2
_chemical_formula_sum   'Li1 Cd1 Pb2'
_cell_volume   103.11
_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  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.5  1.0
  Pb  Pb2  1  0.0  0.0  0.65  1.0
  Pb  Pb3  1  0.0  0.0  0.35  1.0

data_LiCdPb2
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.08
_cell_length_b   3.51
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   101.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   LiCdPb2
_chemical_formula_sum   'Li2 Cd2 Pb4'
_cell_volume   206.21
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.5  1.0
  Pb  Pb2  4  0.0  0.0  0.35  1.0

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