data_[Na16As2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1678]
_cell_length_b [5.0579]
_cell_length_c [7.1968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na8AsAu2]
_chemical_formula_sum '[Na16 As2 Au4]'
_cell_volume [578.4232]
_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  0.0220  0.0000  0.7899  1
  Na  Na1  4  0.1020  0.5000  0.4344  1
  Na  Na2  4  0.1621  0.5000  0.9373  1
  Na  Na3  4  0.1951  0.0000  0.2758  1
  As  As4  2  0.0000  0.5000  0.0000  1
  Au  Au5  4  0.1793  0.0000  0.6823  1
]