data_[Pr12Sm4In12]
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 [P2_13]
_cell_length_a [9.6281]
_cell_length_b [9.6281]
_cell_length_c [9.6281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Pr3SmIn3]
_chemical_formula_sum '[Pr12 Sm4 In12]'
_cell_volume [892.5246]
_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  0.0722  0.4278  0.5722  1
  Pr  Pr1  4  0.1731  0.8269  0.3269  1
  Pr  Pr2  4  0.1752  0.1752  0.1752  1
  Sm  Sm3  4  0.0754  0.5754  0.9246  1
  In  In4  12  0.0015  0.2529  0.8711  1
]