data_[Cs8Tl4Sn4F20]
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
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4460]
_cell_length_b [15.9824]
_cell_length_c [12.6980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2TlSnF5]
_chemical_formula_sum '[Cs8 Tl4 Sn4 F20]'
_cell_volume [902.2952]
_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  0.0909  0.6950  1.0
  Cs  Cs1  4  0.0000  0.1621  0.3379  1.0
  Tl  Tl2  4  0.0000  0.2142  0.0535  1.0
  Sn  Sn3  4  0.0000  0.4686  0.4579  1.0
  F  F4  4  0.0000  0.0202  0.9247  1.0
  F  F5  4  0.0000  0.2707  0.6649  1.0
  F  F6  4  0.0000  0.3545  0.3677  1.0
  F  F7  4  0.0000  0.3654  0.0123  1.0
  F  F8  4  0.0000  0.4735  0.8100  1.0
]