data_[Cu2Sn4Au16]
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 [Immm]
_cell_length_a [4.3179]
_cell_length_b [7.7323]
_cell_length_c [12.9997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cu(SnAu4)2]
_chemical_formula_sum '[Cu2 Sn4 Au16]'
_cell_volume [434.0249]
_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  0.0000  0.5000  0.5000  1
  Sn  Sn1  4  0.0000  0.5000  0.1467  1
  Au  Au2  8  0.0000  0.2568  0.3537  1
  Au  Au3  4  0.0000  0.0000  0.1914  1
  Au  Au4  4  0.0000  0.2111  0.0000  1
]