data_[Ho20Cd4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.6766]
_cell_length_b [7.6766]
_cell_length_c [13.1591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Ho5CdNi2]
_chemical_formula_sum '[Ho20 Cd4 Ni8]'
_cell_volume [775.4679]
_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
[
  Ho  Ho0  16  0.1599  0.3401  0.6343  1
  Ho  Ho1  4  0.0000  0.0000  0.0000  1
  Cd  Cd2  4  0.0000  0.0000  0.2500  1
  Ni  Ni3  8  0.1275  0.6275  0.5000  1
]