data_[Cu6Si2Au12]
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 [P2_1/c]
_cell_length_a [7.5661]
_cell_length_b [5.4625]
_cell_length_c [10.8472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.0816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cu3SiAu6]
_chemical_formula_sum '[Cu6 Si2 Au12]'
_cell_volume [322.0447]
_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
[
  Cu  Cu0  4  0.2352  0.2374  0.7430  1.0
  Si  Si1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.5000  0.0000  0.5000  1.0
  Au  Au3  4  0.1128  0.1071  0.4385  1.0
  Au  Au4  4  0.2621  0.5977  0.4367  1.0
  Au  Au5  4  0.3907  0.7445  0.7469  1.0
]