data_[Cd4Ni24]
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 [Pnma]
_cell_length_a [7.6352]
_cell_length_b [4.7611]
_cell_length_c [9.6868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CdNi6]
_chemical_formula_sum '[Cd4 Ni24]'
_cell_volume [352.1367]
_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  0.2407  0.7500  0.0638  1
  Ni  Ni1  8  0.0636  0.5076  0.3074  1
  Ni  Ni2  4  0.0616  0.2500  0.0859  1
  Ni  Ni3  4  0.1033  0.7500  0.5197  1
  Ni  Ni4  4  0.1455  0.2500  0.8489  1
  Ni  Ni5  4  0.1859  0.7500  0.7610  1
]