data_[Na8Tl8Pd20]
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 [Ima2]
_cell_length_a [17.0469]
_cell_length_b [7.2180]
_cell_length_c [5.7052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Na2Tl2Pd5]
_chemical_formula_sum '[Na8 Tl8 Pd20]'
_cell_volume [701.9881]
_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  0.0779  0.6086  0.9367  1.0
  Tl  Tl1  4  0.0000  0.0000  0.9251  1.0
  Tl  Tl2  4  0.2500  0.6200  0.8157  1.0
  Pd  Pd3  8  0.0924  0.2411  0.1794  1.0
  Pd  Pd4  8  0.1689  0.5277  0.3966  1.0
  Pd  Pd5  4  0.2500  0.2101  0.5697  1.0
]