data_[Ba16Sb24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0386]
_cell_length_b [13.6753]
_cell_length_c [16.0607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2Sb3]
_chemical_formula_sum '[Ba16 Sb24]'
_cell_volume [1545.9110]
_cell_formula_units_Z [8]
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  4  0.0248  0.2273  0.7389  1
  Ba  Ba1  4  0.2465  0.6231  0.5066  1
  Ba  Ba2  4  0.2527  0.1258  0.4916  1
  Ba  Ba3  4  0.4728  0.5237  0.7454  1
  Sb  Sb4  4  0.0001  0.0196  0.1699  1
  Sb  Sb5  4  0.1036  0.5495  0.1581  1
  Sb  Sb6  4  0.2419  0.1151  0.9182  1
  Sb  Sb7  4  0.2593  0.6341  0.9278  1
  Sb  Sb8  4  0.4089  0.7061  0.1656  1
  Sb  Sb9  4  0.4953  0.2309  0.1603  1
]