data_[Sm8Dy12Al16]
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 [Cmce]
_cell_length_a [6.2440]
_cell_length_b [19.6063]
_cell_length_c [7.7013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sm2Dy3Al4]
_chemical_formula_sum '[Sm8 Dy12 Al16]'
_cell_volume [942.8135]
_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  8  0.0000  0.0887  0.3972  1
  Dy  Dy1  8  0.2500  0.2488  0.7500  1
  Dy  Dy2  4  0.0000  0.0000  0.0000  1
  Al  Al3  8  0.0000  0.1516  0.0077  1
  Al  Al4  8  0.2500  0.0867  0.7500  1
]