data_[Na6Ga6Au6]
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 [Imm2]
_cell_length_a [4.5044]
_cell_length_b [13.6069]
_cell_length_c [6.5890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NaGaAu]
_chemical_formula_sum '[Na6 Ga6 Au6]'
_cell_volume [403.8471]
_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  0.0000  0.1327  0.3932  1.0
  Na  Na1  2  0.0000  0.5000  0.1890  1.0
  Ga  Ga2  4  0.0000  0.3214  0.5801  1.0
  Ga  Ga3  2  0.0000  0.0000  0.9976  1.0
  Au  Au4  4  0.0000  0.1826  0.8576  1.0
  Au  Au5  2  0.0000  0.5000  0.7139  1.0
]