data_[Li18Mg3Tl36]
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 [R-3]
_cell_length_a [11.1683]
_cell_length_b [11.1683]
_cell_length_c [13.4671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6MgTl12]
_chemical_formula_sum '[Li18 Mg3 Tl36]'
_cell_volume [1454.7177]
_cell_formula_units_Z [3]
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  18  0.0219  0.4259  0.7058  1.0
  Mg  Mg1  3  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  18  0.0257  0.1898  0.8255  1.0
  Tl  Tl3  18  0.0489  0.8422  0.4072  1.0
]