data_[Pr12Sm12In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.7041]
_cell_length_b [5.2946]
_cell_length_c [13.0325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pr3Sm3In]
_chemical_formula_sum '[Pr12 Sm12 In4]'
_cell_volume [945.6008]
_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  0.0900  0.2500  0.3061  1
  Pr  Pr1  4  0.1758  0.7500  0.7203  1
  Pr  Pr2  4  0.1893  0.7500  0.1118  1
  Sm  Sm3  4  0.0147  0.2500  0.0658  1
  Sm  Sm4  4  0.0554  0.2500  0.5685  1
  Sm  Sm5  4  0.2339  0.7500  0.4281  1
  In  In6  4  0.0456  0.2500  0.8116  1
]