data_[Zn4Cu2Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8638]
_cell_length_b [5.5869]
_cell_length_c [7.0109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zn2CuAu4]
_chemical_formula_sum '[Zn4 Cu2 Au8]'
_cell_volume [235.5347]
_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  0.0674  0.7500  0.3606  1.0
  Zn  Zn1  2  0.2499  0.2500  0.0734  1.0
  Cu  Cu2  2  0.0732  0.2500  0.3636  1.0
  Au  Au3  4  0.3191  0.0009  0.7620  1.0
  Au  Au4  2  0.1867  0.7500  0.0562  1.0
  Au  Au5  2  0.4983  0.2500  0.4983  1.0
]