data_[Fe8Ni20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1052]
_cell_length_b [4.3300]
_cell_length_c [6.4472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Fe2Ni5]
_chemical_formula_sum '[Fe8 Ni20]'
_cell_volume [309.5164]
_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
[
  Fe  Fe0  8  0.0746  0.3298  0.1066  1.0
  Ni  Ni1  8  0.1412  0.1688  0.4638  1.0
  Ni  Ni2  8  0.2133  0.3314  0.8201  1.0
  Ni  Ni3  4  0.0000  0.1717  0.7500  1.0
]