data_[Na4Si4Au4]
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 [C2/m]
_cell_length_a [11.1024]
_cell_length_b [4.3518]
_cell_length_c [6.0919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSiAu]
_chemical_formula_sum '[Na4 Si4 Au4]'
_cell_volume [267.2235]
_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  0.1161  0.0000  0.7982  1.0
  Si  Si1  4  0.0954  0.5000  0.1825  1.0
  Au  Au2  4  0.1876  0.0000  0.3447  1.0
]