data_[Zn6Cu16]
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 [8.2144]
_cell_length_b [3.6536]
_cell_length_c [9.5264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn3Cu8]
_chemical_formula_sum '[Zn6 Cu16]'
_cell_volume [275.1576]
_cell_formula_units_Z [2]
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  0.0936  0.0000  0.6393  1
  Zn  Zn1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.0450  0.5000  0.8179  1
  Cu  Cu3  4  0.1368  0.5000  0.4533  1
  Cu  Cu4  4  0.1819  0.0000  0.2714  1
  Cu  Cu5  4  0.2269  0.5000  0.0892  1
]