data_[Na4Tl8Ag4I20]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4827]
_cell_length_b [21.2848]
_cell_length_c [14.5094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaTl2AgI5]
_chemical_formula_sum '[Na4 Tl8 Ag4 I20]'
_cell_volume [1384.3987]
_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  0.1980  0.0229  1
  Tl  Tl1  4  0.0000  0.1305  0.3254  1
  Tl  Tl2  4  0.0000  0.1324  0.6866  1
  Ag  Ag3  4  0.0000  0.4418  0.4319  1
  I  I4  4  0.0000  0.0382  0.0422  1
  I  I5  4  0.0000  0.2958  0.6773  1
  I  I6  4  0.0000  0.3145  0.3658  1
  I  I7  4  0.0000  0.3489  0.0076  1
  I  I8  4  0.0000  0.4946  0.7641  1
]