data_[Na16Ga4Au4]
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 [5.5685]
_cell_length_b [9.9144]
_cell_length_c [11.4021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4026]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na4GaAu]
_chemical_formula_sum '[Na16 Ga4 Au4]'
_cell_volume [627.6291]
_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  8  0.2170  0.3311  0.2712  1.0
  Na  Na1  4  0.0000  0.3356  0.0000  1.0
  Na  Na2  4  0.2283  0.0000  0.3967  1.0
  Ga  Ga3  4  0.0503  0.0000  0.1094  1.0
  Au  Au4  4  0.0000  0.2517  0.5000  1.0
]