data_[Na4Tl8Cd4In20]
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
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3720]
_cell_length_b [19.3909]
_cell_length_c [15.1684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaTl2CdIn5]
_chemical_formula_sum '[Na4 Tl8 Cd4 In20]'
_cell_volume [991.8110]
_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  0.4602  0.3811  1
  Tl  Tl1  4  0.0000  0.1199  0.3436  1
  Tl  Tl2  4  0.0000  0.1252  0.7258  1
  Cd  Cd3  4  0.0000  0.1258  0.0368  1
  In  In4  4  0.0000  0.0427  0.5338  1
  In  In5  4  0.0000  0.2839  0.3952  1
  In  In6  4  0.0000  0.2897  0.6839  1
  In  In7  4  0.0000  0.3115  0.0395  1
  In  In8  4  0.0000  0.4652  0.6842  1
]