data_[Cd2Fe2Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8870]
_cell_length_b [2.7176]
_cell_length_c [4.5628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdFeNi2]
_chemical_formula_sum '[Cd2 Fe2 Ni4]'
_cell_volume [107.6641]
_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
[
  Cd  Cd0  2  0.4965  0.0000  0.4832  1
  Fe  Fe1  2  0.2617  0.0000  0.7947  1
  Ni  Ni2  2  0.0027  0.0000  0.9839  1
  Ni  Ni3  2  0.2391  0.5000  0.2383  1
]