data_[Na3Tl18Pd24]
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 [8.1726]
_cell_length_b [8.1726]
_cell_length_c [16.4537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na(Tl3Pd4)2]
_chemical_formula_sum '[Na3 Tl18 Pd24]'
_cell_volume [951.7279]
_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  3  0.0000  0.0000  0.0000  1
  Tl  Tl1  18  0.0009  0.2774  0.4073  1
  Pd  Pd2  18  0.0018  0.3790  0.5657  1
  Pd  Pd3  6  0.0000  0.0000  0.3035  1
]