data_[Pr3Nd36Sm21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.3805]
_cell_length_b [15.3805]
_cell_length_c [10.2829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [PrNd12Sm7]
_chemical_formula_sum '[Pr3 Nd36 Sm21]'
_cell_volume [2106.6322]
_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  3  0.0000  0.0000  0.0000  1
  Nd  Nd1  18  0.0454  0.8443  0.2511  1
  Nd  Nd2  18  0.0458  0.7994  0.5751  1
  Sm  Sm3  18  0.0661  0.8189  0.9256  1
  Sm  Sm4  3  0.0000  0.0000  0.5000  1
]