data_[Li8Be4Tl4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
  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 [14.8878]
_cell_length_b [15.7452]
_cell_length_c [8.7124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2BeTlI6]
_chemical_formula_sum '[Li8 Be4 Tl4 I24]'
_cell_volume [1796.2106]
_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  8  0.1654  0.4106  0.5751  1.0
  Be  Be1  4  0.0000  0.1665  0.2500  1.0
  Tl  Tl2  4  0.0000  0.1161  0.7500  1.0
  I  I3  8  0.0893  0.2462  0.5156  1.0
  I  I4  8  0.1211  0.0724  0.2133  1.0
  I  I5  8  0.1241  0.4538  0.8510  1.0
]