data_[Zn8Cu4]
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/c]
_cell_length_a [8.1119]
_cell_length_b [4.6802]
_cell_length_c [5.1220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zn2Cu]
_chemical_formula_sum '[Zn8 Cu4]'
_cell_volume [162.3839]
_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  0.1679  0.4106  0.2450  1.0
  Cu  Cu1  4  0.0000  0.0847  0.7500  1.0
]