data_[Cu12Sn4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0743]
_cell_length_b [6.9462]
_cell_length_c [7.5685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cu3SnAu]
_chemical_formula_sum '[Cu12 Sn4 Au4]'
_cell_volume [315.6513]
_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  4  0.1633  0.0936  0.2719  1.0
  Cu  Cu1  4  0.3452  0.1124  0.6701  1.0
  Cu  Cu2  4  0.4334  0.6707  0.0070  1.0
  Sn  Sn3  4  0.1179  0.7198  0.1054  1.0
  Au  Au4  4  0.2845  0.0463  0.9853  1.0
]