data_[Tl2Zn2In2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9593]
_cell_length_b [8.1513]
_cell_length_c [9.5158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlZnInI4]
_chemical_formula_sum '[Tl2 Zn2 In2 I8]'
_cell_volume [587.9319]
_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
[
  Tl  Tl0  2  0.2332  0.2500  0.5573  1.0
  Zn  Zn1  2  0.2277  0.7500  0.2989  1.0
  In  In2  2  0.2410  0.2500  0.0632  1.0
  I  I3  4  0.0034  0.0023  0.2367  1.0
  I  I4  2  0.4083  0.7500  0.5814  1.0
  I  I5  2  0.4202  0.7500  0.1180  1.0
]