data_[Li10Ge2Pb12]
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 [Immm]
_cell_length_a [5.0507]
_cell_length_b [7.3732]
_cell_length_c [15.1051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li5GePb6]
_chemical_formula_sum '[Li10 Ge2 Pb12]'
_cell_volume [562.5137]
_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  0.0000  0.0000  0.3299  1
  Li  Li1  4  0.0000  0.5000  0.3430  1
  Li  Li2  2  0.0000  0.5000  0.0000  1
  Ge  Ge3  2  0.0000  0.0000  0.0000  1
  Pb  Pb4  8  0.0000  0.2559  0.1695  1
  Pb  Pb5  4  0.0000  0.2359  0.5000  1
]