data_[Li3Tl36Sb18]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.6912]
_cell_length_b [11.6912]
_cell_length_c [14.9747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li(Tl2Sb)6]
_chemical_formula_sum '[Li3 Tl36 Sb18]'
_cell_volume [1772.5954]
_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  3  0.0000  0.0000  0.0000  1
  Tl  Tl1  18  0.0483  0.8631  0.8004  1
  Tl  Tl2  18  0.0659  0.2312  0.4165  1
  Sb  Sb3  18  0.0617  0.6008  0.7089  1
]