data_[Cs12K4Tl4]
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_2/mnm]
_cell_length_a [15.9533]
_cell_length_b [15.9533]
_cell_length_c [6.2573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Cs3KTl]
_chemical_formula_sum '[Cs12 K4 Tl4]'
_cell_volume [1592.5318]
_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  0.0109  0.6837  0.5000  1
  Cs  Cs1  4  0.1074  0.1074  0.0000  1
  K  K2  4  0.1769  0.8231  0.0000  1
  Tl  Tl3  4  0.0680  0.9320  0.5000  1
]