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 [C2/m]
_cell_length_a [22.9763]
_cell_length_b [5.6068]
_cell_length_c [13.1524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3KTl]
_chemical_formula_sum '[Cs12 K4 Tl4]'
_cell_volume [1688.2846]
_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  4  0.0638  0.5000  0.7463  1.0
  Cs  Cs1  4  0.1093  0.0000  0.0622  1.0
  Cs  Cs2  4  0.2469  0.0000  0.7201  1.0
  K  K3  4  0.0921  0.0000  0.4334  1.0
  Tl  Tl4  4  0.2234  0.5000  0.9624  1.0
]