data_[Na4Si8Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9709]
_cell_length_b [6.9226]
_cell_length_c [6.4378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaSi2Au3]
_chemical_formula_sum '[Na4 Si8 Au12]'
_cell_volume [486.6915]
_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  2  0.0141  0.5000  0.0581  1
  Na  Na1  2  0.4814  0.5000  0.9106  1
  Si  Si2  2  0.1610  0.0000  0.6185  1
  Si  Si3  2  0.1815  0.5000  0.7640  1
  Si  Si4  2  0.3152  0.0000  0.3665  1
  Si  Si5  2  0.3516  0.5000  0.2663  1
  Au  Au6  4  0.0018  0.2766  0.5162  1
  Au  Au7  4  0.2453  0.2979  0.4854  1
  Au  Au8  4  0.2505  0.2053  0.9989  1
]