data_[Li16Ge4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6736]
_cell_length_b [4.4731]
_cell_length_c [7.1644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Ge2Pb]
_chemical_formula_sum '[Li16 Ge4 Pb2]'
_cell_volume [376.8455]
_cell_formula_units_Z [2]
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  4  0.0243  0.0000  0.7162  1.0
  Li  Li1  4  0.1306  0.5000  0.4538  1.0
  Li  Li2  4  0.1609  0.0000  0.2330  1.0
  Li  Li3  4  0.1785  0.5000  0.8854  1.0
  Ge  Ge4  4  0.2077  0.0000  0.6795  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]