data_[Zn16Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4746]
_cell_length_b [4.5742]
_cell_length_c [11.3178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7394]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zn2Au]
_chemical_formula_sum '[Zn16 Au8]'
_cell_volume [380.1811]
_cell_formula_units_Z [8]
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  0.1072  0.7500  0.0110  1
  Zn  Zn1  2  0.1073  0.7500  0.5167  1
  Zn  Zn2  2  0.2291  0.2500  0.8999  1
  Zn  Zn3  2  0.2340  0.2500  0.6576  1
  Zn  Zn4  2  0.4382  0.7500  0.1811  1
  Zn  Zn5  2  0.4397  0.7500  0.4241  1
  Zn  Zn6  2  0.4514  0.7500  0.9386  1
  Zn  Zn7  2  0.4630  0.7500  0.6829  1
  Au  Au8  2  0.1027  0.7500  0.2643  1
  Au  Au9  2  0.1472  0.7500  0.7675  1
  Au  Au10  2  0.2255  0.2500  0.1383  1
  Au  Au11  2  0.2330  0.2500  0.4212  1
]