data_[Pr8Sm20Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.6316]
_cell_length_b [11.4956]
_cell_length_c [6.5764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Pr2Sm5Sc2]
_chemical_formula_sum '[Pr8 Sm20 Sc8]'
_cell_volume [1181.7449]
_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  4  0.0000  0.0000  0.0069  1
  Pr  Pr1  4  0.2500  0.0201  0.8979  1
  Sm  Sm2  8  0.0601  0.2335  0.7522  1
  Sm  Sm3  8  0.1475  0.7134  0.6647  1
  Sm  Sm4  4  0.2500  0.1589  0.4070  1
  Sc  Sc5  8  0.0939  0.5252  0.0091  1
]