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 [4.5027]
_cell_length_b [21.4357]
_cell_length_c [14.4743]
_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 [1397.0285]
_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  0.1981  0.0229  1.0
  Tl  Tl1  4  0.0000  0.1309  0.3256  1.0
  Tl  Tl2  4  0.0000  0.1326  0.6865  1.0
  Ag  Ag3  4  0.0000  0.4419  0.4322  1.0
  I  I4  4  0.0000  0.0378  0.0415  1.0
  I  I5  4  0.0000  0.2958  0.6769  1.0
  I  I6  4  0.0000  0.3147  0.3661  1.0
  I  I7  4  0.0000  0.3492  0.0078  1.0
  I  I8  4  0.0000  0.4950  0.7645  1.0
]