data_[Be8Al8Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1154]
_cell_length_b [11.4820]
_cell_length_c [5.0431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BeAlAu3]
_chemical_formula_sum '[Be8 Al8 Au24]'
_cell_volume [643.5139]
_cell_formula_units_Z [8]
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
[
  Be  Be0  4  0.0000  0.0417  0.2500  1.0
  Be  Be1  4  0.0000  0.1669  0.7500  1.0
  Al  Al2  8  0.1397  0.4243  0.0496  1.0
  Au  Au3  8  0.0894  0.3521  0.5457  1.0
  Au  Au4  8  0.1427  0.1950  0.0931  1.0
  Au  Au5  8  0.1692  0.0719  0.5804  1.0
]