data_[Zn8Cu12]
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 [Pbcn]
_cell_length_a [6.0178]
_cell_length_b [6.3408]
_cell_length_c [7.0948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [60]
_chemical_formula_structural [Zn2Cu3]
_chemical_formula_sum '[Zn8 Cu12]'
_cell_volume [270.7207]
_cell_formula_units_Z [4]
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  8  0.1216  0.1944  0.8980  1
  Cu  Cu1  8  0.1551  0.4961  0.1298  1
  Cu  Cu2  4  0.0000  0.1606  0.2500  1
]