data_[Y8Be8Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Be  1.5700  1.0500  0.5900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6605]
_cell_length_b [9.7016]
_cell_length_c [8.1224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [YBeAu3]
_chemical_formula_sum '[Y8 Be8 Au24]'
_cell_volume [736.9607]
_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
[
  Y  Y0  4  0.0000  0.0778  0.7500  1.0
  Y  Y1  4  0.0000  0.3502  0.2500  1.0
  Be  Be2  8  0.0913  0.3716  0.6702  1.0
  Au  Au3  8  0.1535  0.4218  0.0109  1.0
  Au  Au4  8  0.1632  0.1356  0.1632  1.0
  Au  Au5  8  0.1636  0.1564  0.5595  1.0
]