data_[Pr4Sm2Al4]
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 [P2_1/m]
_cell_length_a [6.3042]
_cell_length_b [3.7831]
_cell_length_c [12.9014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr2SmAl2]
_chemical_formula_sum '[Pr4 Sm2 Al4]'
_cell_volume [305.4626]
_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  2  0.0741  0.7500  0.8611  1
  Pr  Pr1  2  0.2261  0.2500  0.4293  1
  Sm  Sm2  2  0.4638  0.7500  0.2108  1
  Al  Al3  2  0.2878  0.7500  0.6272  1
  Al  Al4  2  0.3539  0.2500  0.0174  1
]