data_[Be8Zn8Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.9713]
_cell_length_b [13.1801]
_cell_length_c [4.4754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BeZnAu3]
_chemical_formula_sum '[Be8 Zn8 Au24]'
_cell_volume [669.0644]
_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  4  0.0000  0.0737  0.2500  1.0
  Be  Be1  4  0.0000  0.2207  0.7500  1.0
  Zn  Zn2  8  0.2030  0.4327  0.4496  1.0
  Au  Au3  8  0.1248  0.3646  0.8814  1.0
  Au  Au4  8  0.1256  0.2258  0.3806  1.0
  Au  Au5  8  0.1284  0.0776  0.8874  1.0
]