data_[Cu20Si4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2261]
_cell_length_b [4.5950]
_cell_length_c [9.8123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu5SiAu]
_chemical_formula_sum '[Cu20 Si4 Au4]'
_cell_volume [370.8578]
_cell_formula_units_Z [4]
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
[
  Cu  Cu0  8  0.1765  0.4869  0.9298  1.0
  Cu  Cu1  8  0.2463  0.4858  0.6756  1.0
  Si  Si2  4  0.0000  0.2453  0.7500  1.0
  Cu  Cu3  4  0.0000  0.2566  0.2500  1.0
  Au  Au4  4  0.0000  0.0000  0.0000  1.0
]