data_[Cs2Tl4F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.7993]
_cell_length_b [11.3177]
_cell_length_c [7.2327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CsTl2F3]
_chemical_formula_sum '[Cs2 Tl4 F6]'
_cell_volume [310.9982]
_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  2  0.0000  0.0954  0.4818  1.0
  Tl  Tl1  2  0.0000  0.2552  0.0086  1.0
  Tl  Tl2  2  0.5000  0.4295  0.5345  1.0
  F  F3  2  0.0000  0.3490  0.3472  1.0
  F  F4  2  0.5000  0.1062  0.1302  1.0
  F  F5  2  0.5000  0.2448  0.6991  1.0
]