data_[Pr26Sm6]
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 [Amm2]
_cell_length_a [10.4785]
_cell_length_b [10.4466]
_cell_length_c [10.4497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Pr13Sm3]
_chemical_formula_sum '[Pr26 Sm6]'
_cell_volume [1143.8775]
_cell_formula_units_Z [2]
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  8  0.2493  0.2494  0.7500  1
  Pr  Pr1  4  0.0000  0.2483  1.0000  1
  Pr  Pr2  4  0.2488  0.0000  0.5007  1
  Pr  Pr3  4  0.5000  0.2491  0.0000  1
  Pr  Pr4  2  0.0000  0.0000  0.2485  1
  Pr  Pr5  2  0.5000  0.0000  0.2488  1
  Pr  Pr6  2  0.5000  0.0000  0.7512  1
  Sm  Sm7  4  0.2497  0.0000  0.9993  1
  Sm  Sm8  2  0.0000  0.0000  0.7514  1
]