data_[Li4In8Ge4I20]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4996]
_cell_length_b [20.2127]
_cell_length_c [15.1200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiIn2GeI5]
_chemical_formula_sum '[Li4 In8 Ge4 I20]'
_cell_volume [1375.1516]
_cell_formula_units_Z [4]
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  0.0630  0.9440  1.0
  In  In1  4  0.0000  0.3711  0.8060  1.0
  In  In2  4  0.0000  0.4092  0.1618  1.0
  Ge  Ge3  4  0.0000  0.2850  0.5270  1.0
  I  I4  4  0.0000  0.0019  0.2849  1.0
  I  I5  4  0.0000  0.1420  0.4949  1.0
  I  I6  4  0.0000  0.1968  0.8917  1.0
  I  I7  4  0.0000  0.2243  0.1645  1.0
  I  I8  4  0.0000  0.4430  0.5491  1.0
]