data_[Ba2Al2Sn8O14]
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
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [6.1069]
_cell_length_b [6.1069]
_cell_length_c [14.1858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [BaAlSn4O7]
_chemical_formula_sum '[Ba2 Al2 Sn8 O14]'
_cell_volume [458.1668]
_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  2  0.3333  0.6667  0.9500  1
  Al  Al1  2  0.3333  0.6667  0.3741  1
  Sn  Sn2  6  0.1707  0.3413  0.7040  1
  Sn  Sn3  2  0.0000  0.0000  0.4381  1
  O  O4  6  0.0123  0.5061  0.2964  1
  O  O5  6  0.1843  0.3687  0.4585  1
  O  O6  2  0.0000  0.0000  0.2951  1
]