data_[Ba24Sb12F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [13.4497]
_cell_length_b [16.7671]
_cell_length_c [8.1095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba6Sb3F]
_chemical_formula_sum '[Ba24 Sb12 F4]'
_cell_volume [1828.7962]
_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  8  0.1568  0.2664  0.8191  1
  Ba  Ba1  8  0.1617  0.4802  0.3035  1
  Ba  Ba2  4  0.0000  0.0446  0.8447  1
  Ba  Ba3  4  0.0000  0.2191  0.3105  1
  Sb  Sb4  8  0.1741  0.1080  0.5305  1
  Sb  Sb5  4  0.0000  0.3840  0.5825  1
  F  F6  4  0.0000  0.1955  0.9707  1
]