data_[Na4Sn16Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [18.5077]
_cell_length_b [4.5568]
_cell_length_c [7.5089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Na(Sn2Pd)2]
_chemical_formula_sum '[Na4 Sn16 Pd8]'
_cell_volume [633.2710]
_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  0.1446  0.7500  0.5347  1
  Sn  Sn1  4  0.0340  0.2500  0.3738  1
  Sn  Sn2  4  0.0655  0.7500  0.9757  1
  Sn  Sn3  4  0.1843  0.2500  0.8282  1
  Sn  Sn4  4  0.1918  0.2500  0.2479  1
  Pd  Pd5  4  0.0356  0.2500  0.7491  1
  Pd  Pd6  4  0.2146  0.7500  0.0435  1
]