data_[Zn4Sn2Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  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 [15.6753]
_cell_length_b [5.7421]
_cell_length_c [4.6167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn2SnAu8]
_chemical_formula_sum '[Zn4 Sn2 Au16]'
_cell_volume [414.8881]
_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
[
  Zn  Zn0  4  0.2166  0.5000  0.2349  1.0
  Sn  Sn1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  8  0.1341  0.2582  0.7334  1.0
  Au  Au3  4  0.0501  0.5000  0.2541  1.0
  Au  Au4  4  0.1889  0.0000  0.2496  1.0
]