data_[Cs3La1Tl2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.8130]
_cell_length_b [6.8130]
_cell_length_c [8.0382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3LaTl2O6]
_chemical_formula_sum '[Cs3 La1 Tl2 O6]'
_cell_volume [323.1192]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.7484  1
  Cs  Cs1  1  0.0000  0.0000  0.0000  1
  La  La2  1  0.0000  0.0000  0.5000  1
  Tl  Tl3  2  0.3333  0.6667  0.2995  1
  O  O4  6  0.1564  0.3127  0.3044  1
]