data_[Na12Tl12Pd4]
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 [8.4729]
_cell_length_b [13.4363]
_cell_length_c [7.6497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Tl3Pd]
_chemical_formula_sum '[Na12 Tl12 Pd4]'
_cell_volume [816.2219]
_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  0.1138  0.5000  1.0
  Na  Na1  4  0.0000  0.2399  0.0000  1.0
  Na  Na2  4  0.0577  0.5000  0.3067  1.0
  Tl  Tl3  8  0.1895  0.3144  0.6499  1.0
  Tl  Tl4  4  0.1905  0.0000  0.9129  1.0
  Pd  Pd5  4  0.1634  0.0000  0.2605  1.0
]