data_[Zn12Cu20Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.2743]
_cell_length_b [6.2743]
_cell_length_c [12.4340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Zn3Cu5Ni]
_chemical_formula_sum '[Zn12 Cu20 Ni4]'
_cell_volume [489.4819]
_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  0.1274  0.3726  0.0000  1
  Zn  Zn1  4  0.0000  0.0000  0.2500  1
  Cu  Cu2  16  0.2147  0.2853  0.3529  1
  Cu  Cu3  4  0.0000  0.0000  0.0000  1
  Ni  Ni4  4  0.0000  0.5000  0.2500  1
]