data_[Ba4Tl4Te2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7139]
_cell_length_b [11.2382]
_cell_length_c [6.4362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Tl2TeO6]
_chemical_formula_sum '[Ba4 Tl4 Te2 O12]'
_cell_volume [471.3951]
_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  0.3354  0.5000  1.0
  Tl  Tl1  4  0.0000  0.1561  0.0000  1.0
  Te  Te2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.1755  0.1257  0.6585  1.0
  O  O4  4  0.1771  0.0000  0.2857  1.0
]