data_[Ba24Sb32]
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 [Fdd2]
_cell_length_a [16.7097]
_cell_length_b [20.2837]
_cell_length_c [6.7409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Ba3Sb4]
_chemical_formula_sum '[Ba24 Sb32]'
_cell_volume [2284.7436]
_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  16  0.0039  0.1661  0.4695  1
  Ba  Ba1  8  0.0000  0.0000  0.0041  1
  Sb  Sb2  16  0.0829  0.3312  0.4744  1
  Sb  Sb3  16  0.0886  0.4960  0.0051  1
]