data_Li2CuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   133.15
_cell_angle_beta   133.15
_cell_angle_gamma   68.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuPb
_chemical_formula_sum   'Li2 Cu1 Pb1'
_cell_volume   69.37
_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  0.03  0.0  0.11  1.0
  Li  Li2  1  0.0  0.03  0.11  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.22  1.0

data_Li2CuPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   124.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2CuPb
_chemical_formula_sum   'Li4 Cu2 Pb2'
_cell_volume   138.74
_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
  Li  Li0  4  0.49  0.49  0.08  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.0  0.0  0.22  1.0

Li Li Cu Pb