data_[Li4Tl2In16]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3048]
_cell_length_b [12.7887]
_cell_length_c [5.5993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2TlIn8]
_chemical_formula_sum '[Li4 Tl2 In16]'
_cell_volume [577.1855]
_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  4  0.0000  0.3057  0.0000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  In  In2  8  0.2010  0.1215  0.1252  1.0
  In  In3  4  0.0000  0.2520  0.5000  1.0
  In  In4  4  0.1038  0.5000  0.2938  1.0
]