data_[Na4Tl16Pd6]
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 [C2/m]
_cell_length_a [13.6297]
_cell_length_b [7.8330]
_cell_length_c [6.7639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Tl8Pd3]
_chemical_formula_sum '[Na4 Tl16 Pd6]'
_cell_volume [704.9330]
_cell_formula_units_Z [2]
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  0.2162  0.0000  0.3187  1.0
  Tl  Tl1  8  0.0954  0.3012  0.3926  1.0
  Tl  Tl2  4  0.1071  0.5000  0.9212  1.0
  Tl  Tl3  4  0.1563  0.0000  0.8388  1.0
  Pd  Pd4  4  0.0000  0.1792  0.0000  1.0
  Pd  Pd5  2  0.0000  0.0000  0.5000  1.0
]