data_[Na4Be4Ga4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Be  1.5700  1.0500  0.5900
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.0262]
_cell_length_b [13.3834]
_cell_length_c [5.8458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaBeGaAu3]
_chemical_formula_sum '[Na4 Be4 Ga4 Au12]'
_cell_volume [459.4527]
_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  4  0.0000  0.2378  0.7500  1.0
  Be  Be1  4  0.0000  0.0036  0.2500  1.0
  Ga  Ga2  4  0.0000  0.3709  0.2500  1.0
  Au  Au3  8  0.2087  0.4517  0.9444  1.0
  Au  Au4  4  0.0000  0.1809  0.2500  1.0
]