data_[Ba14Sb8O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2917]
_cell_length_b [5.7834]
_cell_length_c [12.6251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.1591]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba7Sb4O]
_chemical_formula_sum '[Ba14 Sb8 O2]'
_cell_volume [1050.1714]
_cell_formula_units_Z [2]
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  0.0678  0.0000  0.2393  1.0
  Ba  Ba1  4  0.1409  0.5000  0.5342  1.0
  Ba  Ba2  4  0.2108  0.0000  0.8578  1.0
  Ba  Ba3  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb4  4  0.0818  0.5000  0.7878  1.0
  Sb  Sb5  4  0.2213  0.5000  0.3371  1.0
  O  O6  2  0.0000  0.0000  0.0000  1.0
]