data_[La20In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.4327]
_cell_length_b [6.0809]
_cell_length_c [9.3696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5In2]
_chemical_formula_sum '[La20 In8]'
_cell_volume [928.1908]
_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  0.1269  0.2087  0.4532  1.0
  La  La1  8  0.2229  0.3541  0.8225  1.0
  La  La2  4  0.0000  0.2181  0.7500  1.0
  In  In3  8  0.0810  0.3044  0.0989  1.0
]