data_[Li2Tl2Ag4I8]
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 [I222]
_cell_length_a [7.6702]
_cell_length_b [8.4142]
_cell_length_c [9.0542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [23]
_chemical_formula_structural [LiTl(AgI2)2]
_chemical_formula_sum '[Li2 Tl2 Ag4 I8]'
_cell_volume [584.3474]
_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  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  4  0.0000  0.5000  0.1659  1.0
  I  I3  8  0.2189  0.1913  0.3312  1.0
]