data_[Zn4Cu8]
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 [9.6228]
_cell_length_b [2.6878]
_cell_length_c [6.1668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnCu2]
_chemical_formula_sum '[Zn4 Cu8]'
_cell_volume [153.4597]
_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  2  0.0490  0.0000  0.5993  1.0
  Zn  Zn1  2  0.2227  0.5000  0.9454  1.0
  Cu  Cu2  2  0.0035  0.0000  0.0061  1.0
  Cu  Cu3  2  0.1700  0.5000  0.3383  1.0
  Cu  Cu4  2  0.3345  0.0000  0.6716  1.0
  Cu  Cu5  2  0.3869  0.0000  0.2726  1.0
]