data_[Zn12Cu4]
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 [C2/m]
_cell_length_a [5.3689]
_cell_length_b [5.4552]
_cell_length_c [7.9593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn3Cu]
_chemical_formula_sum '[Zn12 Cu4]'
_cell_volume [220.9795]
_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  4  0.0000  0.2493  0.0000  1.0
  Zn  Zn1  4  0.1244  0.5000  0.7503  1.0
  Zn  Zn2  4  0.2500  0.2500  0.5000  1.0
  Cu  Cu3  4  0.1247  0.0000  0.7493  1.0
]