data_[Pr8Sm12Y20]
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 [Ibam]
_cell_length_a [9.4496]
_cell_length_b [22.0566]
_cell_length_c [6.9086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr2Sm3Y5]
_chemical_formula_sum '[Pr8 Sm12 Y20]'
_cell_volume [1439.9231]
_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  8  0.1028  0.1213  0.5000  1
  Sm  Sm1  8  0.2481  0.3727  0.5000  1
  Sm  Sm2  4  0.0000  0.0000  0.2500  1
  Y  Y3  8  0.0000  0.2479  0.2500  1
  Y  Y4  8  0.0877  0.3723  0.0000  1
  Y  Y5  4  0.0000  0.5000  0.2500  1
]