data_[Ba20Cd4In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.0378]
_cell_length_b [9.0378]
_cell_length_c [18.0868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Ba5CdIn2]
_chemical_formula_sum '[Ba20 Cd4 In8]'
_cell_volume [1477.3695]
_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  16  0.1704  0.3296  0.6446  1
  Ba  Ba1  4  0.0000  0.0000  0.0000  1
  Cd  Cd2  4  0.0000  0.0000  0.2500  1
  In  In3  8  0.1166  0.6166  0.5000  1
]