data_[Sm8Y4Sc8]
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 [Pnma]
_cell_length_a [6.8696]
_cell_length_b [5.4782]
_cell_length_c [15.7787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm2YSc2]
_chemical_formula_sum '[Sm8 Y4 Sc8]'
_cell_volume [593.7912]
_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  0.1096  0.2500  0.1470  1
  Sm  Sm1  4  0.1342  0.2500  0.7453  1
  Y  Y2  4  0.1297  0.7500  0.4610  1
  Sc  Sc3  4  0.1142  0.2500  0.3470  1
  Sc  Sc4  4  0.1266  0.7500  0.0344  1
]