data_[K4Ba4Tl4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  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 [6.2781]
_cell_length_b [12.4916]
_cell_length_c [6.0801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KBaTlO3]
_chemical_formula_sum '[K4 Ba4 Tl4 O12]'
_cell_volume [459.9109]
_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
[
  K  K0  4  0.0000  0.4354  0.2500  1.0
  Ba  Ba1  4  0.0000  0.2429  0.7500  1.0
  Tl  Tl2  4  0.0000  0.0590  0.2500  1.0
  O  O3  8  0.2053  0.0696  0.9836  1.0
  O  O4  4  0.0000  0.2328  0.2500  1.0
]