data_[Pr20Ho2Sc8]
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 [I4/m]
_cell_length_a [11.3415]
_cell_length_b [11.3415]
_cell_length_c [8.2046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Pr10HoSc4]
_chemical_formula_sum '[Pr20 Ho2 Sc8]'
_cell_volume [1055.3471]
_cell_formula_units_Z [2]
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  16  0.1145  0.7692  0.1962  1
  Pr  Pr1  4  0.0000  0.5000  0.2500  1
  Ho  Ho2  2  0.0000  0.0000  0.0000  1
  Sc  Sc3  8  0.0670  0.2087  0.5000  1
]