data_[Na4Ag40Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.5230]
_cell_length_b [13.3912]
_cell_length_c [13.4734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Na(Ag5Pd)2]
_chemical_formula_sum '[Na4 Ag40 Pd8]'
_cell_volume [996.4848]
_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  4  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  16  0.0000  0.1083  0.3898  1.0
  Ag  Ag2  16  0.0000  0.1717  0.1768  1.0
  Ag  Ag3  8  0.2500  0.2500  0.0000  1.0
  Pd  Pd4  8  0.2500  0.0000  0.2500  1.0
]