data_[Ba20Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [19.2433]
_cell_length_b [8.4223]
_cell_length_c [8.3711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7591]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba5Sn2]
_chemical_formula_sum '[Ba20 Sn8]'
_cell_volume [1353.8096]
_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
[
  Ba  Ba0  8  0.0870  0.1369  0.9543  1.0
  Ba  Ba1  8  0.2269  0.4513  0.2914  1.0
  Ba  Ba2  4  0.0000  0.4667  0.2500  1.0
  Sn  Sn3  8  0.1090  0.2635  0.5421  1.0
]