data_[Zn2Cu4Ni4]
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 [C2/m]
_cell_length_a [8.0388]
_cell_length_b [3.6014]
_cell_length_c [5.6718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.9402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn(CuNi)2]
_chemical_formula_sum '[Zn2 Cu4 Ni4]'
_cell_volume [116.2310]
_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  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  4  0.1974  0.0000  0.7941  1.0
  Ni  Ni2  4  0.1001  0.5000  0.4016  1.0
]