data_[Ba4Ta2Tl2O12]
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
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.0038]
_cell_length_b [6.0038]
_cell_length_c [8.5831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ba2TaTlO6]
_chemical_formula_sum '[Ba4 Ta2 Tl2 O12]'
_cell_volume [309.3845]
_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
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.2009  0.2670  0.5000  1.0
  O  O4  4  0.0000  0.0000  0.2663  1.0
]