data_[Cs12Tl8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [12.6690]
_cell_length_b [11.0548]
_cell_length_c [6.9148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs3Tl2O4]
_chemical_formula_sum '[Cs12 Tl8 O16]'
_cell_volume [966.9972]
_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
[
  Cs  Cs0  8  0.1116  0.1741  0.5644  1.0
  Cs  Cs1  4  0.0000  0.4199  0.2500  1.0
  Tl  Tl2  8  0.2315  0.3906  0.9302  1.0
  O  O3  8  0.1259  0.2283  0.0040  1.0
  O  O4  8  0.1967  0.4433  0.6110  1.0
]