data_[Na4Tl8Zn4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [Cmc2_1]
_cell_length_a [3.4320]
_cell_length_b [13.7358]
_cell_length_c [13.5298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaTl2ZnF5]
_chemical_formula_sum '[Na4 Tl8 Zn4 F20]'
_cell_volume [637.8209]
_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
[
  Na  Na0  4  0.0000  0.4775  0.4482  1.0
  Tl  Tl1  4  0.0000  0.0795  0.6650  1.0
  Tl  Tl2  4  0.0000  0.1678  0.2895  1.0
  Zn  Zn3  4  0.0000  0.2157  0.0250  1.0
  F  F4  4  0.0000  0.0690  0.0421  1.0
  F  F5  4  0.0000  0.2741  0.6252  1.0
  F  F6  4  0.0000  0.3071  0.4308  1.0
  F  F7  4  0.0000  0.3603  0.0067  1.0
  F  F8  4  0.0000  0.4771  0.7914  1.0
]