data_[Zn4Fe4Ni12]
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 [12.6896]
_cell_length_b [3.6279]
_cell_length_c [5.0197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnFeNi3]
_chemical_formula_sum '[Zn4 Fe4 Ni12]'
_cell_volume [228.2906]
_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  0.1987  0.0000  0.3456  1.0
  Fe  Fe1  4  0.0972  0.5000  0.0345  1.0
  Ni  Ni2  4  0.0014  0.0000  0.7504  1.0
  Ni  Ni3  4  0.0980  0.5000  0.5427  1.0
  Ni  Ni4  4  0.1988  0.0000  0.8499  1.0
]