data_[Be12Ag8Au36]
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 [12.9342]
_cell_length_b [7.3105]
_cell_length_c [10.5683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Be3Ag2Au9]
_chemical_formula_sum '[Be12 Ag8 Au36]'
_cell_volume [913.7431]
_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  8  0.0860  0.2452  0.5088  1
  Be  Be1  4  0.2500  0.2500  0.0000  1
  Ag  Ag2  8  0.1752  0.4252  0.2498  1
  Au  Au3  8  0.0593  0.4352  0.9247  1
  Au  Au4  8  0.1079  0.9032  0.5691  1
  Au  Au5  8  0.1144  0.1959  0.7493  1
  Au  Au6  8  0.2267  0.9130  0.9304  1
  Au  Au7  4  0.0000  0.1855  0.2500  1
]