data_[Na16In4Au4]
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 [Immm]
_cell_length_a [5.4981]
_cell_length_b [8.0953]
_cell_length_c [15.5092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na4InAu]
_chemical_formula_sum '[Na16 In4 Au4]'
_cell_volume [690.2900]
_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  8  0.0000  0.2552  0.3678  1.0
  Na  Na1  4  0.0000  0.1838  0.0000  1.0
  Na  Na2  4  0.0000  0.5000  0.1778  1.0
  In  In3  4  0.0000  0.0000  0.1929  1.0
  Au  Au4  4  0.2486  0.0000  0.5000  1.0
]