data_[Na12Tl8Pd20]
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/c]
_cell_length_a [10.5692]
_cell_length_b [13.4114]
_cell_length_c [5.6835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na3Tl2Pd5]
_chemical_formula_sum '[Na12 Tl8 Pd20]'
_cell_volume [804.5086]
_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  0.1117  0.2614  0.0983  1.0
  Na  Na1  4  0.0000  0.0366  0.2500  1.0
  Tl  Tl2  8  0.1641  0.1500  0.6280  1.0
  Pd  Pd3  8  0.1146  0.3526  0.6306  1.0
  Pd  Pd4  8  0.2300  0.4679  0.0010  1.0
  Pd  Pd5  4  0.0000  0.4677  0.2500  1.0
]