data_[Sm2Dy2Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.5887]
_cell_length_b [5.5887]
_cell_length_c [9.1954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [SmDyAl4]
_chemical_formula_sum '[Sm2 Dy2 Al8]'
_cell_volume [248.7269]
_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
[
  Sm  Sm0  2  0.3333  0.6667  0.4312  1
  Dy  Dy1  2  0.3333  0.6667  0.0672  1
  Al  Al2  6  0.1712  0.3423  0.7533  1
  Al  Al3  1  0.0000  0.0000  0.0000  1
  Al  Al4  1  0.0000  0.0000  0.5000  1
]