data_[Na8Tl16Pd20]
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 [Fmmm]
_cell_length_a [5.8069]
_cell_length_b [10.1899]
_cell_length_c [17.5653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Na2Tl4Pd5]
_chemical_formula_sum '[Na8 Tl16 Pd20]'
_cell_volume [1039.3733]
_cell_formula_units_Z [4]
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  8  0.0000  0.0000  0.0945  1.0
  Tl  Tl1  16  0.0000  0.1597  0.3704  1.0
  Pd  Pd2  8  0.2500  0.2500  0.0000  1.0
  Pd  Pd3  8  0.2500  0.2500  0.2500  1.0
  Pd  Pd4  4  0.0000  0.0000  0.5000  1.0
]