data_[Sm4Dy4Sc16]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3978]
_cell_length_b [17.5817]
_cell_length_c [10.8951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SmDySc4]
_chemical_formula_sum '[Sm4 Dy4 Sc16]'
_cell_volume [650.8549]
_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  0.2198  0.0209  1.0
  Dy  Dy1  4  0.0000  0.3376  0.2618  1.0
  Sc  Sc2  4  0.0000  0.0034  0.2685  1.0
  Sc  Sc3  4  0.0000  0.1052  0.5144  1.0
  Sc  Sc4  4  0.0000  0.3379  0.7756  1.0
  Sc  Sc5  4  0.0000  0.4487  0.5198  1.0
]