data_[Ba24Sn8]
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
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [14.5230]
_cell_length_b [14.5230]
_cell_length_c [7.5326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ba3Sn]
_chemical_formula_sum '[Ba24 Sn8]'
_cell_volume [1588.7488]
_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  0.0331  0.6358  0.5216  1.0
  Ba  Ba1  8  0.0849  0.1180  0.7698  1.0
  Ba  Ba2  8  0.1657  0.2251  0.2403  1.0
  Sn  Sn3  8  0.0506  0.7010  0.0134  1.0
]