data_[Zn12Cu4Ni8]
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 [4.1945]
_cell_length_b [12.5841]
_cell_length_c [5.6436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zn3CuNi2]
_chemical_formula_sum '[Zn12 Cu4 Ni8]'
_cell_volume [297.8871]
_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  0.0000  0.1647  0.2551  1
  Zn  Zn1  4  0.0000  0.5000  0.2542  1
  Cu  Cu2  4  0.0000  0.3334  0.0000  1
  Ni  Ni3  4  0.0000  0.3317  0.5000  1
  Ni  Ni4  2  0.0000  0.0000  0.0000  1
  Ni  Ni5  2  0.0000  0.0000  0.5000  1
]