data_[Ba20In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.8592]
_cell_length_b [17.9627]
_cell_length_c [8.1992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ba5In2]
_chemical_formula_sum '[Ba20 In8]'
_cell_volume [1304.7707]
_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  0.0000  0.2680  0.2500  1
  Ba  Ba1  8  0.1473  0.0824  0.0000  1
  Ba  Ba2  4  0.0000  0.5000  0.2500  1
  In  In3  8  0.2440  0.8788  0.0000  1
]