data_[Pr36Sm3Y21]
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 [R-3]
_cell_length_a [19.0310]
_cell_length_b [19.0310]
_cell_length_c [6.8929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr12SmY7]
_chemical_formula_sum '[Pr36 Sm3 Y21]'
_cell_volume [2161.9767]
_cell_formula_units_Z [3]
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  18  0.0010  0.2117  0.2864  1
  Pr  Pr1  18  0.0067  0.5358  0.7421  1
  Sm  Sm2  3  0.0000  0.0000  0.0000  1
  Y  Y3  18  0.0073  0.1546  0.7760  1
  Y  Y4  3  0.0000  0.0000  0.5000  1
]