data_[Cs4K8Tl4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9819]
_cell_length_b [15.1158]
_cell_length_c [12.0565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsK2TlF4]
_chemical_formula_sum '[Cs4 K8 Tl4 F16]'
_cell_volume [725.6819]
_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  0.0000  0.2278  0.7500  1.0
  K  K1  8  0.0000  0.3758  0.0137  1.0
  Tl  Tl2  4  0.0000  0.0380  0.2500  1.0
  F  F3  8  0.0000  0.2004  0.0999  1.0
  F  F4  4  0.0000  0.0000  0.0000  1.0
  F  F5  4  0.0000  0.4265  0.2500  1.0
]