data_[Li16Si2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0623]
_cell_length_b [4.4159]
_cell_length_c [6.8826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8SiGe2]
_chemical_formula_sum '[Li16 Si2 Ge4]'
_cell_volume [338.9655]
_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  0.0214  0.0000  0.7250  1.0
  Li  Li1  4  0.1245  0.5000  0.4400  1.0
  Li  Li2  4  0.1479  0.0000  0.1950  1.0
  Li  Li3  4  0.1643  0.5000  0.8787  1.0
  Si  Si4  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge5  4  0.2109  0.0000  0.6800  1.0
]