data_[Cs6Ba4Ta2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5704]
_cell_length_b [11.3974]
_cell_length_c [7.1081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Ba2TaO6]
_chemical_formula_sum '[Cs6 Ba4 Ta2 O12]'
_cell_volume [507.9068]
_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
[
  Cs  Cs0  4  0.0000  0.1627  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Ba  Ba2  4  0.0000  0.3329  0.0000  1.0
  Ta  Ta3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.1861  0.1291  0.1694  1.0
  O  O5  4  0.2018  0.0000  0.8251  1.0
]