data_[Be1Cd6Au10]
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 [P-31m]
_cell_length_a [8.2383]
_cell_length_b [8.2383]
_cell_length_c [5.5496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Be(Cd3Au5)2]
_chemical_formula_sum '[Be1 Cd6 Au10]'
_cell_volume [326.1833]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Cd  Cd1  6  0.0000  0.3969  0.2611  1
  Au  Au2  6  0.0000  0.2239  0.7766  1
  Au  Au3  2  0.3333  0.6667  0.5000  1
  Au  Au4  2  0.3333  0.6667  0.0000  1
]