data_[Li2Mg4Tl16]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6385]
_cell_length_b [4.8734]
_cell_length_c [7.9832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1615]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(MgTl4)2]
_chemical_formula_sum '[Li2 Mg4 Tl16]'
_cell_volume [615.0844]
_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  2  0.0000  0.5000  0.0000  1.0
  Mg  Mg1  4  0.2274  0.0000  0.6414  1.0
  Tl  Tl2  4  0.0472  0.0000  0.7349  1.0
  Tl  Tl3  4  0.0988  0.5000  0.4645  1.0
  Tl  Tl4  4  0.1413  0.0000  0.1980  1.0
  Tl  Tl5  4  0.1791  0.5000  0.9236  1.0
]