data_[Li2Tl2Sn2I8]
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
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6502]
_cell_length_b [8.3928]
_cell_length_c [9.3357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTlSnI4]
_chemical_formula_sum '[Li2 Tl2 Sn2 I8]'
_cell_volume [573.3195]
_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  0.2384  0.7500  0.3209  1.0
  Tl  Tl1  2  0.2055  0.2500  0.0512  1.0
  Sn  Sn2  2  0.2172  0.2500  0.5557  1.0
  I  I3  4  0.0066  0.5018  0.7288  1.0
  I  I4  2  0.4701  0.7500  0.1462  1.0
  I  I5  2  0.4776  0.7500  0.6016  1.0
]