data_[Pr8Sm2Al8]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [8.9750]
_cell_length_b [8.9750]
_cell_length_c [6.1248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Pr4SmAl4]
_chemical_formula_sum '[Pr8 Sm2 Al8]'
_cell_volume [493.3543]
_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  0.0739  0.6721  0.1211  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Al  Al2  8  0.0897  0.8130  0.5989  1
]