data_[Tl4Zn8F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2928]
_cell_length_b [10.4129]
_cell_length_c [10.7452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TlZn2F5]
_chemical_formula_sum '[Tl4 Zn8 F20]'
_cell_volume [480.3112]
_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
[
  Tl  Tl0  4  0.0000  0.4434  0.7500  1
  Zn  Zn1  8  0.0000  0.1449  0.5600  1
  F  F2  8  0.0000  0.0465  0.1058  1
  F  F3  8  0.0000  0.3202  0.0327  1
  F  F4  4  0.0000  0.1852  0.7500  1
]