data_[Ba4Ta2Sn2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ta  1.5000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.0089]
_cell_length_b [6.0089]
_cell_length_c [8.5547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ba2TaSnO6]
_chemical_formula_sum '[Ba4 Ta2 Sn2 O12]'
_cell_volume [308.8859]
_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  0.5000  0.2500  1.0
  Ta  Ta1  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.2043  0.7344  0.5000  1.0
  O  O4  4  0.0000  0.0000  0.2646  1.0
]