data_[Li4Tl8Zn4I20]
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
  Zn  1.6500  1.3500  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4020]
_cell_length_b [21.3742]
_cell_length_c [14.6759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTl2ZnI5]
_chemical_formula_sum '[Li4 Tl8 Zn4 I20]'
_cell_volume [1380.8539]
_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  0.2135  0.0374  1.0
  Tl  Tl1  4  0.0000  0.1272  0.3252  1.0
  Tl  Tl2  4  0.0000  0.1395  0.6863  1.0
  Zn  Zn3  4  0.0000  0.4354  0.4209  1.0
  I  I4  4  0.0000  0.0381  0.0220  1.0
  I  I5  4  0.0000  0.3000  0.6669  1.0
  I  I6  4  0.0000  0.3144  0.3867  1.0
  I  I7  4  0.0000  0.3441  0.0096  1.0
  I  I8  4  0.0000  0.4985  0.2689  1.0
]