data_[Cr4Fe4Ni20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  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 [5.9647]
_cell_length_b [6.7690]
_cell_length_c [8.4660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CrFeNi5]
_chemical_formula_sum '[Cr4 Fe4 Ni20]'
_cell_volume [321.6314]
_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
[
  Cr  Cr0  4  0.0000  0.2325  0.7500  1
  Fe  Fe1  4  0.2500  0.2500  0.5000  1
  Ni  Ni2  8  0.1084  0.4498  0.1536  1
  Ni  Ni3  8  0.1798  0.0978  0.0405  1
  Ni  Ni4  4  0.0000  0.1171  0.2500  1
]