data_[Na4Tl20In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.6571]
_cell_length_b [8.6571]
_cell_length_c [13.1136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [NaTl5In2]
_chemical_formula_sum '[Na4 Tl20 In8]'
_cell_volume [982.8029]
_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  0.0000  0.2500  1.0
  Tl  Tl1  16  0.1525  0.3475  0.6588  1.0
  Tl  Tl2  4  0.0000  0.0000  0.0000  1.0
  In  In3  8  0.1432  0.3568  0.0000  1.0
]