data_[Ho24Sc40In96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [17.3933]
_cell_length_b [17.3933]
_cell_length_c [17.3933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Ho3Sc5In12]
_chemical_formula_sum '[Ho24 Sc40 In96]'
_cell_volume [5261.9532]
_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  0.1250  1
  Sc  Sc1  24  0.0000  0.2500  0.3750  1
  Sc  Sc2  16  0.0000  0.0000  0.0000  1
  In  In3  96  0.0056  0.0735  0.6497  1
]