data_[Cu12Si2Au6]
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/m]
_cell_length_a [8.2017]
_cell_length_b [3.9076]
_cell_length_c [8.8166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cu6SiAu3]
_chemical_formula_sum '[Cu12 Si2 Au6]'
_cell_volume [281.0830]
_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  2  0.0442  0.7500  0.8919  1
  Si  Si1  2  0.0670  0.2500  0.3717  1
  Cu  Cu2  2  0.1151  0.2500  0.6665  1
  Cu  Cu3  2  0.1505  0.7500  0.1953  1
  Cu  Cu4  2  0.2102  0.7500  0.4906  1
  Cu  Cu5  2  0.3428  0.2500  0.2990  1
  Cu  Cu6  2  0.4486  0.7500  0.1016  1
  Au  Au7  2  0.2433  0.2500  0.0018  1
  Au  Au8  2  0.3410  0.7500  0.7944  1
  Au  Au9  2  0.4441  0.2500  0.5966  1
]