data_[Na18Tl36Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.2718]
_cell_length_b [13.2718]
_cell_length_c [10.8066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na3Tl6Pd]
_chemical_formula_sum '[Na18 Tl36 Pd6]'
_cell_volume [1648.4528]
_cell_formula_units_Z [6]
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
[
  Na  Na0  18  0.0472  0.8804  0.2459  1
  Tl  Tl1  18  0.0132  0.7775  0.5345  1
  Tl  Tl2  18  0.0749  0.5807  0.6148  1
  Pd  Pd3  3  0.0000  0.0000  0.0000  1
  Pd  Pd4  3  0.0000  0.0000  0.5000  1
]