data_[Li4Tl8In4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.3384]
_cell_length_b [19.9709]
_cell_length_c [14.4204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTl2InI5]
_chemical_formula_sum '[Li4 Tl8 In4 I20]'
_cell_volume [1537.3977]
_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
[
  Li  Li0  4  0.0000  0.2187  0.0725  1.0
  Tl  Tl1  4  0.0000  0.1292  0.3470  1.0
  Tl  Tl2  4  0.0000  0.1310  0.6798  1.0
  In  In3  4  0.0000  0.4299  0.4400  1.0
  I  I4  4  0.0000  0.0572  0.0230  1.0
  I  I5  4  0.0000  0.2983  0.6457  1.0
  I  I6  4  0.0000  0.3048  0.3323  1.0
  I  I7  4  0.0000  0.3504  0.0110  1.0
  I  I8  4  0.0000  0.4875  0.7727  1.0
]