data_[Sm2Y12Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.9616]
_cell_length_b [4.9527]
_cell_length_c [11.0480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm(Y2Sc)3]
_chemical_formula_sum '[Sm2 Y12 Sc6]'
_cell_volume [599.7610]
_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  0.0501  0.2500  0.4018  1
  Y  Y1  2  0.0544  0.7500  0.9025  1
  Y  Y2  2  0.1533  0.7500  0.2011  1
  Y  Y3  2  0.1608  0.2500  0.7071  1
  Y  Y4  2  0.2628  0.7500  0.5072  1
  Y  Y5  2  0.3607  0.2500  0.3025  1
  Y  Y6  2  0.4545  0.7500  0.0996  1
  Sc  Sc7  2  0.2527  0.2500  0.0027  1
  Sc  Sc8  2  0.3505  0.7500  0.8066  1
  Sc  Sc9  2  0.4508  0.2500  0.6030  1
]