data_[Cu4Sn2Au16]
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 [C2/m]
_cell_length_a [14.4546]
_cell_length_b [4.2393]
_cell_length_c [6.6991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2SnAu8]
_chemical_formula_sum '[Cu4 Sn2 Au16]'
_cell_volume [388.5195]
_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  0.2230  0.0000  0.6454  1
  Sn  Sn1  2  0.0000  0.5000  0.0000  1
  Au  Au2  4  0.0469  0.0000  0.7223  1
  Au  Au3  4  0.1055  0.5000  0.4687  1
  Au  Au4  4  0.1517  0.0000  0.2206  1
  Au  Au5  4  0.1826  0.5000  0.9249  1
]