data_[Na24Tl18Pd3]
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 [8.9011]
_cell_length_b [8.9011]
_cell_length_c [20.1170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na8Tl6Pd]
_chemical_formula_sum '[Na24 Tl18 Pd3]'
_cell_volume [1380.3294]
_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
[
  Na  Na0  18  0.0153  0.6427  0.8817  1
  Na  Na1  6  0.0000  0.0000  0.3392  1
  Tl  Tl2  18  0.0027  0.7008  0.0483  1
  Pd  Pd3  3  0.0000  0.0000  0.0000  1
]