data_[Sm1Dy9Sc2]
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 [P6/mmm]
_cell_length_a [11.0689]
_cell_length_b [11.0689]
_cell_length_c [3.4605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [SmDy9Sc2]
_chemical_formula_sum '[Sm1 Dy9 Sc2]'
_cell_volume [367.1804]
_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  1  0.0000  0.0000  0.0000  1.0
  Dy  Dy1  6  0.1798  0.8202  0.5000  1.0
  Dy  Dy2  3  0.0000  0.5000  0.0000  1.0
  Sc  Sc3  2  0.3333  0.6667  0.0000  1.0
]