data_[Be4Cd6Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.8948]
_cell_length_b [14.8700]
_cell_length_c [4.0825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Be2Cd3Au8]
_chemical_formula_sum '[Be4 Cd6 Au16]'
_cell_volume [479.2637]
_cell_formula_units_Z [2]
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  0.2453  0.5000  1
  Cd  Cd1  4  0.1984  0.5000  0.0000  1
  Cd  Cd2  2  0.0000  0.0000  0.5000  1
  Au  Au3  8  0.2458  0.3502  0.5000  1
  Au  Au4  4  0.0000  0.1447  0.0000  1
  Au  Au5  4  0.0000  0.3376  0.0000  1
]