data_[Cs12Na4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.6993]
_cell_length_b [5.3033]
_cell_length_c [13.6834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3NaAu2]
_chemical_formula_sum '[Cs12 Na4 Au8]'
_cell_volume [1321.4022]
_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
[
  Cs  Cs0  4  0.0468  0.0000  0.2396  1.0
  Cs  Cs1  4  0.1633  0.5000  0.0012  1.0
  Cs  Cs2  4  0.2189  0.0000  0.6150  1.0
  Na  Na3  4  0.0693  0.5000  0.6452  1.0
  Au  Au4  4  0.1068  0.5000  0.4419  1.0
  Au  Au5  4  0.1343  0.0000  0.7906  1.0
]