data_[Sm8Y6Sc2]
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 [C2/m]
_cell_length_a [23.1300]
_cell_length_b [3.5804]
_cell_length_c [6.1752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm4Y3Sc]
_chemical_formula_sum '[Sm8 Y6 Sc2]'
_cell_volume [509.6356]
_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  4  0.1213  0.0000  0.8767  1.0
  Sm  Sm1  4  0.1243  0.5000  0.3725  1.0
  Y  Y2  4  0.2495  0.5000  0.7508  1.0
  Y  Y3  2  0.0000  0.0000  0.5000  1.0
  Sc  Sc4  2  0.0000  0.5000  0.0000  1.0
]