data_[Zn4Cu4O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [6.2681]
_cell_length_b [8.1549]
_cell_length_c [3.1852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [ZnCuO2]
_chemical_formula_sum '[Zn4 Cu4 O8]'
_cell_volume [162.8118]
_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  0.0000  0.0000  1
  Cu  Cu1  4  0.2500  0.2500  0.5000  1
  O  O2  4  0.0000  0.2500  0.1406  1
  O  O3  4  0.2500  0.0000  0.5000  1
]