data_[Li12In2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6524]
_cell_length_b [5.9562]
_cell_length_c [9.9859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li6InGe]
_chemical_formula_sum '[Li12 In2 Ge2]'
_cell_volume [276.7111]
_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  0.2281  0.6569  1.0
  Li  Li1  4  0.5000  0.2464  0.8383  1.0
  Li  Li2  2  0.0000  0.0000  0.4235  1.0
  Li  Li3  2  0.5000  0.0000  0.0870  1.0
  In  In4  2  0.0000  0.0000  0.9152  1.0
  Ge  Ge5  2  0.5000  0.0000  0.5843  1.0
]