data_[Ba12Sb6O4]
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 [I4/mmm]
_cell_length_a [5.3636]
_cell_length_b [5.3636]
_cell_length_c [28.2071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba6Sb3O2]
_chemical_formula_sum '[Ba12 Sb6 O4]'
_cell_volume [811.4597]
_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  8  0.0000  0.5000  0.0851  1
  Ba  Ba1  4  0.0000  0.0000  0.3044  1
  Sb  Sb2  4  0.0000  0.0000  0.1739  1
  Sb  Sb3  2  0.0000  0.0000  0.0000  1
  O  O4  4  0.0000  0.0000  0.3950  1
]