data_[Li4Mg8Tl4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.4981]
_cell_length_b [14.8480]
_cell_length_c [8.4519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiMg2TlI6]
_chemical_formula_sum '[Li4 Mg8 Tl4 I24]'
_cell_volume [1820.8971]
_cell_formula_units_Z [4]
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  4  0.0000  0.2034  0.7500  1.0
  Mg  Mg1  8  0.1909  0.4234  0.2001  1.0
  Tl  Tl2  4  0.0000  0.1238  0.2500  1.0
  I  I3  8  0.1188  0.0737  0.6764  1.0
  I  I4  8  0.1227  0.2598  0.0629  1.0
  I  I5  8  0.1308  0.4347  0.4758  1.0
]