data_[Pr16Ho4Sc2]
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 [C2/m]
_cell_length_a [16.7794]
_cell_length_b [6.8790]
_cell_length_c [6.7082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Ho2Sc]
_chemical_formula_sum '[Pr16 Ho4 Sc2]'
_cell_volume [757.7386]
_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  8  0.0805  0.2574  0.3889  1
  Pr  Pr1  4  0.0993  0.5000  0.9217  1
  Pr  Pr2  4  0.2470  0.0000  0.3359  1
  Ho  Ho3  4  0.1839  0.0000  0.8149  1
  Sc  Sc4  2  0.0000  0.0000  0.0000  1
]