data_[Zn16Cu4Ni2]
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 [Imm2]
_cell_length_a [4.0895]
_cell_length_b [11.9634]
_cell_length_c [6.3259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Zn8Cu2Ni]
_chemical_formula_sum '[Zn16 Cu4 Ni2]'
_cell_volume [309.4875]
_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  4  0.0000  0.1224  0.7641  1
  Zn  Zn1  4  0.0000  0.3052  0.4538  1
  Zn  Zn2  4  0.0000  0.3402  0.9568  1
  Zn  Zn3  2  0.0000  0.0000  0.4410  1
  Zn  Zn4  2  0.0000  0.5000  0.6389  1
  Cu  Cu5  4  0.0000  0.1482  0.1710  1
  Ni  Ni6  2  0.0000  0.5000  0.2271  1
]