data_[Zn6Cu6]
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 [Cm]
_cell_length_a [9.5209]
_cell_length_b [2.7277]
_cell_length_c [6.3475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnCu]
_chemical_formula_sum '[Zn6 Cu6]'
_cell_volume [157.3240]
_cell_formula_units_Z [6]
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  0.0420  0.0000  0.6028  1.0
  Zn  Zn1  2  0.1743  0.5000  0.3402  1.0
  Zn  Zn2  2  0.2228  0.5000  0.9390  1.0
  Cu  Cu3  2  0.0052  0.0000  0.0072  1.0
  Cu  Cu4  2  0.3337  0.0000  0.6769  1.0
  Cu  Cu5  2  0.3886  0.0000  0.2673  1.0
]