data_[Cs4Tl8Cu4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.5688]
_cell_length_b [7.5688]
_cell_length_c [12.9040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [CsTl2CuF5]
_chemical_formula_sum '[Cs4 Tl8 Cu4 F20]'
_cell_volume [739.2352]
_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  0.0000  0.2500  1.0
  Tl  Tl1  8  0.1888  0.6888  0.0000  1.0
  Cu  Cu2  4  0.0000  0.5000  0.2500  1.0
  F  F3  16  0.1350  0.3650  0.1498  1.0
  F  F4  4  0.0000  0.0000  0.0000  1.0
]