data_[Li2Tl2Ag2I6]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4004]
_cell_length_b [4.4391]
_cell_length_c [10.5427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTlAgI3]
_chemical_formula_sum '[Li2 Tl2 Ag2 I6]'
_cell_volume [427.7309]
_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  0.3546  0.7500  0.8873  1.0
  Tl  Tl1  2  0.1886  0.2500  0.2162  1.0
  Ag  Ag2  2  0.0761  0.2500  0.5862  1.0
  I  I3  2  0.1238  0.2500  0.8648  1.0
  I  I4  2  0.2384  0.7500  0.5126  1.0
  I  I5  2  0.4523  0.7500  0.1608  1.0
]