data_[Na8Tl16Pd8]
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 [Pnma]
_cell_length_a [16.2253]
_cell_length_b [8.2413]
_cell_length_c [5.9150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaTl2Pd]
_chemical_formula_sum '[Na8 Tl16 Pd8]'
_cell_volume [790.9365]
_cell_formula_units_Z [8]
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  4  0.1063  0.2500  0.7419  1
  Na  Na1  4  0.1391  0.7500  0.5252  1
  Tl  Tl2  8  0.0360  0.0506  0.2571  1
  Tl  Tl3  8  0.2126  0.5463  0.0122  1
  Pd  Pd4  4  0.0699  0.7500  0.0216  1
  Pd  Pd5  4  0.1831  0.2500  0.2524  1
]