data_[Be3Ge3Pb6Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.6032]
_cell_length_b [6.6032]
_cell_length_c [16.7315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [BeGe(PbAu3)2]
_chemical_formula_sum '[Be3 Ge3 Pb6 Au18]'
_cell_volume [631.8015]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Ge  Ge1  3  -0.0000  0.0000  0.5000  1.0
  Pb  Pb2  6  0.0000  0.0000  0.1895  1.0
  Au  Au3  18  0.0388  0.4170  0.2798  1.0
]