data_[Na6Au2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.4800]
_cell_length_b [7.9736]
_cell_length_c [14.8529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3AuCl6]
_chemical_formula_sum '[Na6 Au2 Cl12]'
_cell_volume [521.1221]
_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  0.1474  0.2101  0.7533  1.0
  Na  Na1  2  0.5000  0.0000  0.5000  1.0
  Au  Au2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0332  0.7251  0.0547  1.0
  Cl  Cl4  4  0.2566  0.5740  0.3835  1.0
  Cl  Cl5  4  0.3989  0.5274  0.8089  1.0
]