data_[Pr10Sm8Sc2]
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 [C2/m]
_cell_length_a [17.5101]
_cell_length_b [3.6026]
_cell_length_c [11.5211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5Sm4Sc]
_chemical_formula_sum '[Pr10 Sm8 Sc2]'
_cell_volume [685.1434]
_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  4  0.1905  0.0000  0.5833  1
  Pr  Pr1  4  0.2059  0.0000  0.1100  1
  Pr  Pr2  2  0.0000  0.5000  0.5000  1
  Sm  Sm3  4  0.0820  0.0000  0.7992  1
  Sm  Sm4  4  0.1040  0.5000  0.2922  1
  Sc  Sc5  2  0.0000  0.5000  0.0000  1
]