data_[Na12Tl36Pd6Pt6]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4307]
_cell_length_b [8.4307]
_cell_length_c [29.4913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na2Tl6PdPt]
_chemical_formula_sum '[Na12 Tl36 Pd6 Pt6]'
_cell_volume [1815.3213]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1272  1
  Na  Na1  6  0.0000  0.0000  0.2982  1
  Tl  Tl2  18  0.0126  0.5063  0.7125  1
  Tl  Tl3  18  0.0238  0.5119  0.8740  1
  Pd  Pd4  3  -0.0000  -0.0000  0.5000  1
  Pd  Pd5  3  0.0000  0.0000  0.0000  1
  Pt  Pt6  6  0.0000  0.0000  0.4077  1
]