data_[Pr16Sm6Y8]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0504]
_cell_length_b [12.3294]
_cell_length_c [6.9824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Sm3Y4]
_chemical_formula_sum '[Pr16 Sm6 Y8]'
_cell_volume [1060.1671]
_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  0.0000  0.2475  0.5000  1
  Pr  Pr1  4  0.0000  0.2948  0.0000  1
  Pr  Pr2  4  0.2041  0.5000  0.1903  1
  Pr  Pr3  4  0.2468  0.0000  0.2706  1
  Sm  Sm4  4  0.2500  0.2500  0.5000  1
  Sm  Sm5  2  0.0000  0.5000  0.5000  1
  Y  Y6  4  0.2500  0.2500  0.0000  1
  Y  Y7  2  0.0000  0.0000  0.0000  1
  Y  Y8  2  0.0000  0.0000  0.5000  1
]