data_[Na6Sr6Pd45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.4173]
_cell_length_b [9.4173]
_cell_length_c [13.5356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na2Sr2Pd15]
_chemical_formula_sum '[Na6 Sr6 Pd45]'
_cell_volume [1039.5800]
_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  0.0954  1.0
  Sr  Sr1  6  0.0000  0.0000  0.3462  1.0
  Pd  Pd2  18  0.0000  0.3106  0.0000  1.0
  Pd  Pd3  18  0.0032  0.5016  0.1584  1.0
  Pd  Pd4  9  0.0000  0.5000  0.5000  1.0
]