data_[Zn12Cu12Ni4]
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 [Cmmm]
_cell_length_a [8.3935]
_cell_length_b [8.4169]
_cell_length_c [5.3259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zn3Cu3Ni]
_chemical_formula_sum '[Zn12 Cu12 Ni4]'
_cell_volume [376.2592]
_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  0.2651  0.5000  1
  Zn  Zn1  4  0.1788  0.5000  0.0000  1
  Zn  Zn2  4  0.2336  0.5000  0.5000  1
  Cu  Cu3  8  0.2500  0.2500  0.2436  1
  Cu  Cu4  4  0.0000  0.0000  0.2361  1
  Ni  Ni5  4  0.0000  0.2606  0.0000  1
]