data_[Sm12Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [8.4208]
_cell_length_b [8.4208]
_cell_length_c [7.6971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Sm3Al2]
_chemical_formula_sum '[Sm12 Al8]'
_cell_volume [545.8015]
_cell_formula_units_Z [4]
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
[
  Sm  Sm0  4  0.0000  0.5000  0.2500  1.0
  Sm  Sm1  4  0.1479  0.8521  0.5000  1.0
  Sm  Sm2  4  0.2028  0.7972  0.0000  1.0
  Al  Al3  8  0.1181  0.1181  0.1896  1.0
]