data_[Ba4Ti4Tl8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.0814]
_cell_length_b [10.0631]
_cell_length_c [7.1034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaTiTl2O6]
_chemical_formula_sum '[Ba4 Ti4 Tl8 O24]'
_cell_volume [753.9345]
_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  0.0000  0.1715  0.2500  1.0
  Ti  Ti1  4  0.0000  0.1886  0.7500  1.0
  Tl  Tl2  8  0.1933  0.4603  0.1794  1.0
  O  O3  8  0.0872  0.2840  0.9965  1.0
  O  O4  8  0.1005  0.0786  0.6911  1.0
  O  O5  8  0.1744  0.3959  0.4480  1.0
]