data_LiGe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.75
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGe2Pb
_chemical_formula_sum   'Li1 Ge2 Pb1'
_cell_volume   85.67
_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  Li2  1  0.0  0.0  0.05  1.0
  Ge  Ge0  1  0.0  0.0  0.32  1.0
  Ge  Ge1  1  0.74  0.87  0.55  1.0
  Pb  Pb3  1  0.74  0.87  0.92  1.0

data_LiGe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.75
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGe2Pb
_chemical_formula_sum   'Li1 Ge2 Pb1'
_cell_volume   85.67
_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  0.0  0.0  0.05  1.0
  Ge  Ge1  1  0.0  0.0  0.32  1.0
  Ge  Ge2  1  0.74  0.87  0.55  1.0
  Pb  Pb3  1  0.74  0.87  0.92  1.0

Li Ge Ge Pb
Li Ge Ge Pb 0 3 - - - 0 1 o o o 1 2 - - o 