data_[Pr21Sm36Th3]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.6458]
_cell_length_b [12.6458]
_cell_length_c [15.1798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr7Sm12Th]
_chemical_formula_sum '[Pr21 Sm36 Th3]'
_cell_volume [2102.2911]
_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  0.0635  0.1880  0.8069  1
  Pr  Pr1  3  0.0000  0.0000  0.5000  1
  Sm  Sm2  18  0.0263  0.4410  0.7188  1
  Sm  Sm3  18  0.0703  0.8251  0.4026  1
  Th  Th4  3  0.0000  0.0000  0.0000  1
]