data_[Be2Cu4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7668]
_cell_length_b [5.9474]
_cell_length_c [9.2090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Be(CuAu3)2]
_chemical_formula_sum '[Be2 Cu4 Au12]'
_cell_volume [295.3817]
_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  2  0.5000  0.0000  0.5000  1.0
  Cu  Cu1  4  0.4392  0.6024  0.2525  1.0
  Au  Au2  4  0.1089  0.5435  0.7510  1.0
  Au  Au3  4  0.1712  0.1875  0.5388  1.0
  Au  Au4  4  0.3100  0.6468  0.5024  1.0
]