data_[Sm2Dy3Al3]
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 [Pmmm]
_cell_length_a [4.7874]
_cell_length_b [4.7943]
_cell_length_c [8.9981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Sm2(DyAl)3]
_chemical_formula_sum '[Sm2 Dy3 Al3]'
_cell_volume [206.5258]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.2699  1.0
  Dy  Dy1  2  0.5000  0.5000  0.2778  1.0
  Dy  Dy2  1  0.0000  0.5000  0.0000  1.0
  Al  Al3  1  0.0000  0.5000  0.5000  1.0
  Al  Al4  1  0.5000  0.0000  0.0000  1.0
  Al  Al5  1  0.5000  0.0000  0.5000  1.0
]