data_[Cs8K12Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [11.8671]
_cell_length_b [11.8671]
_cell_length_c [12.3892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [128]
_chemical_formula_structural [Cs4K6Tl]
_chemical_formula_sum '[Cs8 K12 Tl2]'
_cell_volume [1744.7590]
_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
[
  Cs  Cs0  8  0.1452  0.6452  0.2500  1
  K  K1  8  0.1265  0.2931  0.5000  1
  K  K2  4  0.0000  0.0000  0.1892  1
  Tl  Tl3  2  0.0000  0.0000  0.5000  1
]