data_[Na6Tl12Pd6F36]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.2783]
_cell_length_b [6.2783]
_cell_length_c [30.8738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NaTl2PdF6]
_chemical_formula_sum '[Na6 Tl12 Pd6 F36]'
_cell_volume [1053.9219]
_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  0.4045  1.0
  Tl  Tl1  6  0.0000  0.0000  0.1360  1.0
  Tl  Tl2  6  0.0000  0.0000  0.2700  1.0
  Pd  Pd3  3  -0.0000  -0.0000  0.5000  1.0
  Pd  Pd4  3  0.0000  0.0000  0.0000  1.0
  F  F5  18  0.0132  0.5066  0.1239  1.0
  F  F6  18  0.0401  0.5201  0.7039  1.0
]