data_[Zn8Cu8]
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
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.6727]
_cell_length_b [4.8592]
_cell_length_c [9.3388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [ZnCu]
_chemical_formula_sum '[Zn8 Cu8]'
_cell_volume [212.0421]
_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  4  0.1517  0.4920  0.3047  1.0
  Zn  Zn1  4  0.1616  0.1800  0.5555  1.0
  Cu  Cu2  4  0.1487  0.0176  0.8143  1.0
  Cu  Cu3  4  0.1735  0.3104  0.0523  1.0
]