data_[Li18Tl36Cd3]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.9666]
_cell_length_b [10.9666]
_cell_length_c [13.9871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6Tl12Cd]
_chemical_formula_sum '[Li18 Tl36 Cd3]'
_cell_volume [1456.7959]
_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  0.0281  0.4303  0.7029  1.0
  Tl  Tl1  18  0.0221  0.1901  0.8219  1.0
  Tl  Tl2  18  0.0482  0.8430  0.4072  1.0
  Cd  Cd3  3  0.0000  0.0000  0.0000  1.0
]