data_Li2GePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   133.17
_cell_angle_beta   133.17
_cell_angle_gamma   68.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GePb
_chemical_formula_sum   'Li2 Ge1 Pb1'
_cell_volume   79.81
_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  0.12  0.21  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.42  1.0
  Pb  Pb3  1  0.12  0.0  0.21  1.0

data_Li2GePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.35
_cell_angle_alpha   113.42
_cell_angle_beta   113.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GePb
_chemical_formula_sum   'Li2 Ge1 Pb1'
_cell_volume   79.81
_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  0.0  1.0
  Li  Li1  1  0.91  0.12  0.91  1.0
  Ge  Ge2  1  0.58  0.0  0.58  1.0
  Pb  Pb3  1  0.79  0.0  0.91  1.0

Li Li Ge Pb