data_[Be4Ag4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6283]
_cell_length_b [5.2140]
_cell_length_c [4.8052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BeAgAu4]
_chemical_formula_sum '[Be4 Ag4 Au16]'
_cell_volume [408.2771]
_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  0.2500  0.2500  0.5000  1.0
  Ag  Ag1  4  0.0000  0.1633  0.7500  1.0
  Au  Au2  8  0.0934  0.3469  0.3209  1.0
  Au  Au3  8  0.1761  0.1495  0.8728  1.0
]