data_[Li20In4Ge12]
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 [C2/m]
_cell_length_a [12.7773]
_cell_length_b [9.6658]
_cell_length_c [8.7361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.1404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5InGe3]
_chemical_formula_sum '[Li20 In4 Ge12]'
_cell_volume [787.2723]
_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  8  0.0051  0.2696  0.6728  1
  Li  Li1  4  0.0000  0.2673  0.0000  1
  Li  Li2  4  0.2485  0.0000  0.4128  1
  Li  Li3  4  0.2497  0.0000  0.7476  1
  In  In4  4  0.2451  0.0000  0.0654  1
  Ge  Ge5  4  0.0050  0.5000  0.1641  1
  Ge  Ge6  4  0.0094  0.0000  0.3560  1
  Ge  Ge7  2  0.0000  0.0000  0.0000  1
  Ge  Ge8  2  0.0000  0.5000  0.5000  1
]