data_[Pr6Sm8Al2]
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 [Pmmn]
_cell_length_a [4.9353]
_cell_length_b [10.1750]
_cell_length_c [10.2148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Pr3Sm4Al]
_chemical_formula_sum '[Pr6 Sm8 Al2]'
_cell_volume [512.9504]
_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  4  0.0000  0.2558  0.3809  1.0
  Pr  Pr1  2  0.0000  0.5000  0.6161  1.0
  Sm  Sm2  4  0.0000  0.2432  0.8699  1.0
  Sm  Sm3  2  0.0000  0.0000  0.1246  1.0
  Sm  Sm4  2  0.0000  0.5000  0.1374  1.0
  Al  Al5  2  0.0000  0.0000  0.6287  1.0
]