data_[Zn7Pt2Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2957]
_cell_length_b [4.2957]
_cell_length_c [10.6716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Zn7Pt2Au]
_chemical_formula_sum '[Zn7 Pt2 Au1]'
_cell_volume [170.5421]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.2661  1.0
  Zn  Zn1  1  0.0000  0.0000  0.7218  1.0
  Zn  Zn2  1  0.3333  0.6667  0.0551  1.0
  Zn  Zn3  1  0.3333  0.6667  0.5570  1.0
  Zn  Zn4  1  0.6667  0.3333  0.1574  1.0
  Zn  Zn5  1  0.6667  0.3333  0.4100  1.0
  Zn  Zn6  1  0.6667  0.3333  0.8842  1.0
  Pt  Pt7  1  0.3333  0.6667  0.3040  1.0
  Pt  Pt8  1  0.6667  0.3333  0.6466  1.0
  Au  Au9  1  0.0000  0.0000  0.9810  1.0
]