data_[Be8Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [10.1498]
_cell_length_b [10.1498]
_cell_length_c [4.8679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [BeAu3]
_chemical_formula_sum '[Be8 Au24]'
_cell_volume [501.4834]
_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  8  0.0417  0.7095  0.0250  1.0
  Au  Au1  8  0.0312  0.6353  0.5256  1.0
  Au  Au2  8  0.0761  0.1155  0.7564  1.0
  Au  Au3  8  0.1741  0.2224  0.2527  1.0
]