data_[Pr2Sm13]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7586]
_cell_length_b [9.1239]
_cell_length_c [9.1256]
_cell_angle_alpha [66.3050]
_cell_angle_beta [82.1991]
_cell_angle_gamma [82.1769]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr2Sm13]
_chemical_formula_sum '[Pr2 Sm13]'
_cell_volume [508.4525]
_cell_formula_units_Z [1]
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  2  0.1033  0.7662  0.4335  1
  Sm  Sm1  2  0.0984  0.4325  0.7676  1
  Sm  Sm2  2  0.2025  0.2030  0.1959  1
  Sm  Sm3  2  0.2975  0.9705  0.6301  1
  Sm  Sm4  2  0.3011  0.6358  0.9635  1
  Sm  Sm5  2  0.4011  0.4013  0.3973  1
  Sm  Sm6  2  0.4995  0.1660  0.8330  1
  Sm  Sm7  1  0.0000  0.0000  0.0000  1
]