data_[Cd80Ni16]
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 [Cmm2]
_cell_length_a [13.9644]
_cell_length_b [14.2995]
_cell_length_c [10.0119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Cd5Ni]
_chemical_formula_sum '[Cd80 Ni16]'
_cell_volume [1999.2170]
_cell_formula_units_Z [16]
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  8  0.1103  0.1646  0.2511  1
  Cd  Cd1  8  0.1232  0.1285  0.7396  1
  Cd  Cd2  8  0.1740  0.3359  0.8305  1
  Cd  Cd3  8  0.1797  0.3170  0.4991  1
  Cd  Cd4  8  0.1871  0.3563  0.1497  1
  Cd  Cd5  4  0.0000  0.0999  0.9977  1
  Cd  Cd6  4  0.0000  0.1704  0.5096  1
  Cd  Cd7  4  0.0000  0.3024  0.0070  1
  Cd  Cd8  4  0.0000  0.3439  0.3334  1
  Cd  Cd9  4  0.0000  0.3565  0.6527  1
  Cd  Cd10  4  0.1340  0.0000  0.4587  1
  Cd  Cd11  4  0.1542  0.5000  0.3597  1
  Cd  Cd12  4  0.1776  0.5000  0.6560  1
  Cd  Cd13  4  0.2015  0.0000  0.9493  1
  Cd  Cd14  2  0.0000  0.5000  0.1397  1
  Cd  Cd15  2  0.0000  0.5000  0.8602  1
  Ni  Ni16  8  0.1687  0.1922  0.9924  1
  Ni  Ni17  4  0.1854  0.0000  0.2045  1
  Ni  Ni18  2  0.0000  0.0000  0.2460  1
  Ni  Ni19  2  0.0000  0.0000  0.6471  1
]