data_[Li16Tl4Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4756]
_cell_length_b [13.8135]
_cell_length_c [4.7878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Tl2Sn]
_chemical_formula_sum '[Li16 Tl4 Sn2]'
_cell_volume [427.4460]
_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  8  0.2075  0.1112  0.1617  1.0
  Li  Li1  4  0.0000  0.2046  0.5000  1.0
  Li  Li2  4  0.0924  0.5000  0.2926  1.0
  Tl  Tl3  4  0.0000  0.3116  0.0000  1.0
  Sn  Sn4  2  0.0000  0.0000  0.5000  1.0
]