data_[La20Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6177]
_cell_length_b [6.3688]
_cell_length_c [8.4039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1254]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5Ge2]
_chemical_formula_sum '[La20 Ge8]'
_cell_volume [880.4980]
_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
[
  La  La0  8  0.0922  0.1421  0.9359  1.0
  La  La1  8  0.2262  0.3999  0.3286  1.0
  La  La2  4  0.0000  0.3642  0.2500  1.0
  Ge  Ge3  8  0.1021  0.3160  0.5894  1.0
]