data_[Be4Al4Au16]
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/m]
_cell_length_a [13.1241]
_cell_length_b [6.0134]
_cell_length_c [5.9246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BeAlAu4]
_chemical_formula_sum '[Be4 Al4 Au16]'
_cell_volume [421.7522]
_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
[
  Be  Be0  4  0.1272  0.0000  0.3771  1.0
  Al  Al1  4  0.1236  0.5000  0.8705  1.0
  Au  Au2  8  0.2491  0.2526  0.2613  1.0
  Au  Au3  4  0.0000  0.2342  0.0000  1.0
  Au  Au4  4  0.0000  0.2363  0.5000  1.0
]