data_[Na16Pt2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5894]
_cell_length_b [5.0031]
_cell_length_c [7.2395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na8PtAu2]
_chemical_formula_sum '[Na16 Pt2 Au4]'
_cell_volume [550.9183]
_cell_formula_units_Z [2]
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  0.0164  0.0000  0.7578  1.0
  Na  Na1  4  0.1249  0.5000  0.4213  1.0
  Na  Na2  4  0.1570  0.5000  0.9071  1.0
  Na  Na3  4  0.1732  0.0000  0.2170  1.0
  Pt  Pt4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1899  0.0000  0.6765  1.0
]