data_[Na4Tl4Pd6]
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 [11.5817]
_cell_length_b [4.3475]
_cell_length_c [7.2882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Tl2Pd3]
_chemical_formula_sum '[Na4 Tl4 Pd6]'
_cell_volume [317.3612]
_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  0.1398  0.0000  0.7700  1
  Tl  Tl1  4  0.1521  0.0000  0.2556  1
  Pd  Pd2  4  0.0823  0.5000  0.4251  1
  Pd  Pd3  2  0.0000  0.5000  0.0000  1
]