data_[Y16Cd4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.4765]
_cell_length_b [15.0163]
_cell_length_c [6.7357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.5553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Y4CdNi2]
_chemical_formula_sum '[Y16 Cd4 Ni8]'
_cell_volume [670.4557]
_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
[
  Y  Y0  4  0.1685  0.0311  0.9106  1.0
  Y  Y1  4  0.1882  0.4614  0.7771  1.0
  Y  Y2  4  0.2283  0.2554  0.0578  1.0
  Y  Y3  4  0.4132  0.1753  0.7340  1.0
  Cd  Cd4  4  0.4267  0.3668  0.5872  1.0
  Ni  Ni5  4  0.0186  0.1658  0.5514  1.0
  Ni  Ni6  4  0.4308  0.9067  0.8813  1.0
]