data_[Sm6Y8Sc1]
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 [P-3]
_cell_length_a [9.9328]
_cell_length_b [9.9328]
_cell_length_c [5.8022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Sm6Y8Sc]
_chemical_formula_sum '[Sm6 Y8 Sc1]'
_cell_volume [495.7500]
_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  6  0.0920  0.6225  0.7399  1
  Y  Y1  6  0.0510  0.7823  0.2316  1
  Y  Y2  2  0.3333  0.6667  0.2319  1
  Sc  Sc3  1  0.0000  0.0000  0.5000  1
]