data_[Pr12Ho4Sc4]
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 [Pbcm]
_cell_length_a [3.5518]
_cell_length_b [17.5846]
_cell_length_c [10.7712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Pr3HoSc]
_chemical_formula_sum '[Pr12 Ho4 Sc4]'
_cell_volume [672.7334]
_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  0.2463  0.0770  0.5612  1
  Pr  Pr1  4  0.2554  0.7500  0.0000  1
  Ho  Ho2  4  0.2580  0.6045  0.2500  1
  Sc  Sc3  4  0.2431  0.2289  0.7500  1
]