data_[Ba16Sn24Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [9.6759]
_cell_length_b [10.2245]
_cell_length_c [18.0591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ba2Sn3Sb]
_chemical_formula_sum '[Ba16 Sn24 Sb8]'
_cell_volume [1786.6089]
_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  8  0.2439  0.0000  0.5000  1
  Ba  Ba1  8  0.2500  0.2500  0.2500  1
  Sn  Sn2  16  0.0000  0.2473  0.0822  1
  Sn  Sn3  8  0.0000  0.0000  0.1651  1
  Sb  Sb4  8  0.0000  0.0000  0.3316  1
]