data_[Ba8Na2Al4B16Cl6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  B  2.0400  0.8500  0.4100
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [12.0347]
_cell_length_b [12.0347]
_cell_length_c [6.8242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [Ba4NaAl2B8(ClO6)3]
_chemical_formula_sum '[Ba8 Na2 Al4 B16 Cl6 O36]'
_cell_volume [988.3787]
_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  0.0182  0.7201  0.7199  1
  Na  Na1  2  0.0000  0.0000  0.3976  1
  Al  Al2  4  0.2043  0.7957  0.2138  1
  B  B3  8  0.0324  0.2340  0.1804  1
  B  B4  4  0.1819  0.1819  0.4196  1
  B  B5  4  0.2331  0.2331  0.0874  1
  Cl  Cl6  4  0.0000  0.5000  0.4530  1
  Cl  Cl7  2  0.0000  0.0000  0.7875  1
  O  O8  8  0.0600  0.2000  0.3683  1
  O  O9  8  0.0743  0.7579  0.1190  1
  O  O10  8  0.1141  0.2577  0.0448  1
  O  O11  4  0.1964  0.8036  0.4719  1
  O  O12  4  0.1983  0.1983  0.6260  1
  O  O13  4  0.2472  0.7528  0.7981  1
]