data_[Nd4Ho12Sc20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.2923]
_cell_length_b [8.2923]
_cell_length_c [14.4105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [NdHo3Sc5]
_chemical_formula_sum '[Nd4 Ho12 Sc20]'
_cell_volume [990.9054]
_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
[
  Nd  Nd0  4  0.0000  0.5000  0.2500  1
  Ho  Ho1  8  0.1207  0.6207  0.5000  1
  Ho  Ho2  4  0.0000  0.0000  0.2500  1
  Sc  Sc3  16  0.2034  0.2966  0.3652  1
  Sc  Sc4  4  0.0000  0.0000  0.0000  1
]