data_[Na8Tl12Pd4]
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 [Cmmm]
_cell_length_a [4.9991]
_cell_length_b [15.1079]
_cell_length_c [7.9425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Na2Tl3Pd]
_chemical_formula_sum '[Na8 Tl12 Pd4]'
_cell_volume [599.8678]
_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  4  0.0000  0.3354  0.5000  1
  Na  Na1  2  0.0000  0.0000  0.0000  1
  Na  Na2  2  0.0000  0.0000  0.5000  1
  Tl  Tl3  8  0.0000  0.1793  0.2073  1
  Tl  Tl4  4  0.0000  0.5000  0.2296  1
  Pd  Pd5  4  0.0000  0.3502  0.0000  1
]