data_[Na6Ga18Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0442]
_cell_length_b [4.1846]
_cell_length_c [11.0302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaGa3Au2]
_chemical_formula_sum '[Na6 Ga18 Au12]'
_cell_volume [740.5731]
_cell_formula_units_Z [6]
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  0.1611  0.0000  0.7050  1
  Na  Na1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0308  0.0000  0.3591  1
  Ga  Ga3  4  0.1209  0.5000  0.1972  1
  Ga  Ga4  4  0.1812  0.5000  0.9698  1
  Ga  Ga5  4  0.2078  0.0000  0.3779  1
  Ga  Ga6  2  0.0000  0.5000  0.5000  1
  Au  Au7  4  0.0346  0.5000  0.8000  1
  Au  Au8  4  0.1432  0.5000  0.4610  1
  Au  Au9  4  0.1966  0.0000  0.1305  1
]