data_[Li2Tl2Zn2I8]
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 [P2_1/m]
_cell_length_a [6.9303]
_cell_length_b [9.0597]
_cell_length_c [9.5097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8113]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTlZnI4]
_chemical_formula_sum '[Li2 Tl2 Zn2 I8]'
_cell_volume [584.4367]
_cell_formula_units_Z [2]
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  2  0.3006  0.2500  0.6821  1.0
  Tl  Tl1  2  0.1484  0.2500  0.0519  1.0
  Zn  Zn2  2  0.2157  0.7500  0.3066  1.0
  I  I3  4  0.0378  0.0245  0.7326  1.0
  I  I4  2  0.3843  0.7500  0.0752  1.0
  I  I5  2  0.4929  0.7500  0.5348  1.0
]