data_[Pr4Sm8Y8]
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 [Cmc2_1]
_cell_length_a [5.5267]
_cell_length_b [17.1401]
_cell_length_c [7.1230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr(SmY)2]
_chemical_formula_sum '[Pr4 Sm8 Y8]'
_cell_volume [674.7439]
_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  0.3916  0.4216  1.0
  Sm  Sm1  4  0.0000  0.1976  0.1736  1.0
  Sm  Sm2  4  0.0000  0.3899  0.9247  1.0
  Y  Y3  4  0.0000  0.0002  0.6721  1.0
  Y  Y4  4  0.0000  0.1980  0.6737  1.0
]