data_[Na4Sn20Pd12]
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 [C2/m]
_cell_length_a [11.4108]
_cell_length_b [9.2723]
_cell_length_c [10.1986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSn5Pd3]
_chemical_formula_sum '[Na4 Sn20 Pd12]'
_cell_volume [903.7907]
_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  0.2252  0.0000  0.2947  1
  Sn  Sn1  8  0.0637  0.7260  0.3844  1
  Sn  Sn2  4  0.0000  0.2886  0.0000  1
  Sn  Sn3  4  0.2166  0.0000  0.9671  1
  Sn  Sn4  4  0.2256  0.0000  0.6387  1
  Pd  Pd5  4  0.0092  0.5000  0.8155  1
  Pd  Pd6  4  0.0112  0.0000  0.6669  1
  Pd  Pd7  2  0.0000  0.0000  0.0000  1
  Pd  Pd8  2  0.0000  0.5000  0.5000  1
]