data_[Zn2Sn4Au16]
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 [14.6273]
_cell_length_b [4.3475]
_cell_length_c [8.1336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn(SnAu4)2]
_chemical_formula_sum '[Zn2 Sn4 Au16]'
_cell_volume [438.9665]
_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  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn1  4  0.1450  0.0000  0.6310  1.0
  Au  Au2  4  0.0176  0.0000  0.8029  1.0
  Au  Au3  4  0.1356  0.5000  0.3889  1.0
  Au  Au4  4  0.1699  0.5000  0.9490  1.0
  Au  Au5  4  0.1905  0.0000  0.2145  1.0
]