data_[Na6Si3B3Pd18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8296]
_cell_length_b [5.8296]
_cell_length_c [17.6305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na2SiBPd6]
_chemical_formula_sum '[Na6 Si3 B3 Pd18]'
_cell_volume [518.8791]
_cell_formula_units_Z [3]
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  0.2181  1.0
  Si  Si1  3  -0.0000  -0.0000  0.5000  1.0
  B  B2  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  18  0.0171  0.5086  0.2701  1.0
]