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 [16.4661]
_cell_length_b [6.0635]
_cell_length_c [9.3605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5In2]
_chemical_formula_sum '[La20 In8]'
_cell_volume [926.6634]
_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  0.1266  0.2088  0.9530  1
  La  La1  8  0.2233  0.3549  0.3227  1
  La  La2  4  0.0000  0.2170  0.2500  1
  In  In3  8  0.0807  0.3047  0.5988  1
]