data_[Ba4Sn4O12]
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/c]
_cell_length_a [7.1171]
_cell_length_b [5.6452]
_cell_length_c [7.9693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4099]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaSnO3]
_chemical_formula_sum '[Ba4 Sn4 O12]'
_cell_volume [317.5138]
_cell_formula_units_Z [4]
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  0.3766  0.2360  0.8274  1.0
  Sn  Sn1  4  0.0836  0.7428  0.4298  1.0
  O  O2  4  0.0539  0.5655  0.1661  1.0
  O  O3  4  0.1754  0.0782  0.0544  1.0
  O  O4  4  0.3571  0.6921  0.9041  1.0
]