data_Li2AgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.45
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AgPb
_chemical_formula_sum   'Li2 Ag1 Pb1'
_cell_volume   76.5
_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  0.67  0.72  0.48  1.0
  Li  Li2  1  0.67  0.72  0.18  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.33  1.0

data_Li2AgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   3.45
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AgPb
_chemical_formula_sum   'Li2 Ag1 Pb1'
_cell_volume   76.5
_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  0.67  0.72  0.18  1.0
  Li  Li1  1  0.67  0.72  0.48  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.33  1.0

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