data_[Zn4Fe2Ni16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3544]
_cell_length_b [11.4556]
_cell_length_c [4.1865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn2FeNi8]
_chemical_formula_sum '[Zn4 Fe2 Ni16]'
_cell_volume [265.9454]
_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  0.3056  0.0000  1
  Fe  Fe1  2  0.0000  0.0000  0.5000  1
  Ni  Ni2  8  0.2104  0.1090  0.1489  1
  Ni  Ni3  4  0.0000  0.2045  0.5000  1
  Ni  Ni4  4  0.0865  0.5000  0.3055  1
]