data_[Li4Tl2Ag16]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0227]
_cell_length_b [4.0977]
_cell_length_c [6.7689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3195]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2TlAg8]
_chemical_formula_sum '[Li4 Tl2 Ag16]'
_cell_volume [397.7911]
_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  0.2238  0.0000  0.6464  1
  Tl  Tl1  2  0.0000  0.5000  0.0000  1
  Ag  Ag2  4  0.0477  0.0000  0.7165  1
  Ag  Ag3  4  0.0989  0.5000  0.4638  1
  Ag  Ag4  4  0.1482  0.0000  0.2046  1
  Ag  Ag5  4  0.1841  0.5000  0.9101  1
]