data_[Ba6Al4Cl4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9615]
_cell_length_b [3.9615]
_cell_length_c [26.4680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba3Al2Cl2O5]
_chemical_formula_sum '[Ba6 Al4 Cl4 O10]'
_cell_volume [415.3747]
_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  0.0000  0.0000  0.3489  1
  Ba  Ba1  2  0.0000  0.0000  0.5000  1
  Al  Al2  4  0.0000  0.0000  0.0684  1
  Cl  Cl3  4  0.0000  0.0000  0.2014  1
  O  O4  8  0.0000  0.5000  0.0809  1
  O  O5  2  0.0000  0.0000  0.0000  1
]