data_[Na8Tl16Pd12]
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 [Cmce]
_cell_length_a [6.0490]
_cell_length_b [15.9773]
_cell_length_c [8.7231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Na2Tl4Pd3]
_chemical_formula_sum '[Na8 Tl16 Pd12]'
_cell_volume [843.0625]
_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  0.0000  0.1164  0.5978  1.0
  Tl  Tl1  8  0.0000  0.1851  0.9771  1.0
  Tl  Tl2  8  0.2500  0.0522  0.2500  1.0
  Pd  Pd3  8  0.2500  0.2290  0.2500  1.0
  Pd  Pd4  4  0.0000  0.0000  0.0000  1.0
]