data_[Cd4Ni496]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [17.5608]
_cell_length_b [17.5608]
_cell_length_c [17.5608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [CdNi124]
_chemical_formula_sum '[Cd4 Ni496]'
_cell_volume [5415.4601]
_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
[
  Cd  Cd0  4  0.0000  0.0000  0.0000  1
  Ni  Ni1  96  0.0000  0.1000  0.3000  1
  Ni  Ni2  96  0.1001  0.1999  0.3001  1
  Ni  Ni3  96  0.1004  0.1004  0.2006  1
  Ni  Ni4  48  0.0000  0.1034  0.1034  1
  Ni  Ni5  48  0.0000  0.2009  0.2009  1
  Ni  Ni6  32  0.1000  0.1000  0.4000  1
  Ni  Ni7  32  0.2001  0.2999  0.2999  1
  Ni  Ni8  24  0.0000  0.0000  0.1998  1
  Ni  Ni9  24  0.0000  0.0000  0.4000  1
]