data_[Zn2Cu13]
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 [P-1]
_cell_length_a [5.7101]
_cell_length_b [5.7911]
_cell_length_c [6.3125]
_cell_angle_alpha [68.1477]
_cell_angle_beta [68.9218]
_cell_angle_gamma [84.2644]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zn2Cu13]
_chemical_formula_sum '[Zn2 Cu13]'
_cell_volume [180.6390]
_cell_formula_units_Z [1]
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  0.1371  0.4667  0.7946  1.0
  Cu  Cu1  2  0.0681  0.7365  0.3990  1.0
  Cu  Cu2  2  0.2001  0.1978  0.2009  1.0
  Cu  Cu3  2  0.2678  0.9356  0.5991  1.0
  Cu  Cu4  2  0.3352  0.6680  0.0005  1.0
  Cu  Cu5  2  0.3992  0.3989  0.3980  1.0
  Cu  Cu6  2  0.4677  0.1314  0.8002  1.0
  Cu  Cu7  1  0.0000  0.0000  0.0000  1.0
]