data_[Na4In4Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.9943]
_cell_length_b [5.7534]
_cell_length_c [11.3661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaInAu5]
_chemical_formula_sum '[Na4 In4 Au20]'
_cell_volume [588.1736]
_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  0.2483  0.2500  0.0535  1
  In  In1  4  0.1458  0.7500  0.8521  1
  Au  Au2  8  0.0577  0.0106  0.3095  1
  Au  Au3  4  0.0714  0.7500  0.0844  1
  Au  Au4  4  0.1156  0.2500  0.5237  1
  Au  Au5  4  0.1866  0.2500  0.7726  1
]