data_[Pr12Ho20Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.1137]
_cell_length_b [13.5288]
_cell_length_c [10.7771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr3Ho5Sc2]
_chemical_formula_sum '[Pr12 Ho20 Sc8]'
_cell_volume [1328.7952]
_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
[
  Pr  Pr0  8  0.1313  0.3947  0.5000  1
  Pr  Pr1  4  0.0000  0.0000  0.2500  1
  Ho  Ho2  8  0.0000  0.2488  0.2500  1
  Ho  Ho3  8  0.2309  0.3554  0.0000  1
  Ho  Ho4  4  0.0000  0.5000  0.2500  1
  Sc  Sc5  8  0.0604  0.1204  0.0000  1
]