data_[Pr5Sm4Sc2]
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 [P-1]
_cell_length_a [3.5754]
_cell_length_b [8.8358]
_cell_length_c [11.7395]
_cell_angle_alpha [86.3661]
_cell_angle_beta [81.8565]
_cell_angle_gamma [89.9181]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr5(Sm2Sc)2]
_chemical_formula_sum '[Pr5 Sm4 Sc2]'
_cell_volume [366.3808]
_cell_formula_units_Z [1]
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  2  0.1152  0.1102  0.7413  1
  Pr  Pr1  2  0.1787  0.4758  0.6325  1
  Pr  Pr2  1  0.5000  0.0000  0.0000  1
  Sm  Sm3  2  0.0678  0.7140  0.8533  1
  Sm  Sm4  2  0.3029  0.1682  0.4208  1
  Sc  Sc5  2  0.4485  0.6200  0.1061  1
]