data_[Ho40Th24Cd96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [17.6558]
_cell_length_b [17.6558]
_cell_length_c [17.6558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Ho5(ThCd4)3]
_chemical_formula_sum '[Ho40 Th24 Cd96]'
_cell_volume [5503.8147]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.3750  1
  Ho  Ho1  16  0.0000  0.0000  0.0000  1
  Th  Th2  24  0.0000  0.2500  0.1250  1
  Cd  Cd3  96  0.0054  0.0748  0.6515  1
]