data_[Cs8Tl4Pb4F20]
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
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9678]
_cell_length_b [18.8585]
_cell_length_c [11.6539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2TlPbF5]
_chemical_formula_sum '[Cs8 Tl4 Pb4 F20]'
_cell_volume [872.0185]
_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  0.1219  0.2946  1.0
  Cs  Cs1  4  0.0000  0.1224  0.7239  1.0
  Tl  Tl2  4  0.0000  0.4850  0.5143  1.0
  Pb  Pb3  4  0.0000  0.2296  0.0102  1.0
  F  F4  4  0.0000  0.1001  0.0233  1.0
  F  F5  4  0.0000  0.2777  0.6437  1.0
  F  F6  4  0.0000  0.2821  0.3762  1.0
  F  F7  4  0.0000  0.3584  0.0129  1.0
  F  F8  4  0.0000  0.4958  0.7249  1.0
]