data_[Pr12Sm4Sb12]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [9.5440]
_cell_length_b [9.5440]
_cell_length_c [9.5440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Pr3SmSb3]
_chemical_formula_sum '[Pr12 Sm4 Sb12]'
_cell_volume [869.3365]
_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  0.0685  0.4315  0.5685  1
  Pr  Pr1  4  0.1787  0.8213  0.3213  1
  Pr  Pr2  4  0.1796  0.1796  0.1796  1
  Sm  Sm3  4  0.0708  0.5708  0.9292  1
  Sb  Sb4  12  0.0009  0.2531  0.8730  1
]