data_[Ba8Sn4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4195]
_cell_length_b [7.7088]
_cell_length_c [8.9776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba4Sn2O]
_chemical_formula_sum '[Ba8 Sn4 O2]'
_cell_volume [565.0633]
_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  0.2282  0.5021  0.4364  1.0
  Ba  Ba1  2  0.0873  0.2500  0.9387  1.0
  Ba  Ba2  2  0.4239  0.7500  0.1225  1.0
  Sn  Sn3  2  0.1396  0.7500  0.7573  1.0
  Sn  Sn4  2  0.4981  0.2500  0.2585  1.0
  O  O5  2  0.1852  0.7500  0.2500  1.0
]