data_[Sm12Er16Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.2785]
_cell_length_b [11.4045]
_cell_length_c [5.9027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm3(Er2Sc)2]
_chemical_formula_sum '[Sm12 Er16 Sc8]'
_cell_volume [1086.2402]
_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  8  0.1696  0.1148  0.0728  1
  Sm  Sm1  4  0.0000  0.4012  0.2500  1
  Er  Er2  8  0.0516  0.1355  0.5197  1
  Er  Er3  8  0.2105  0.3775  0.3689  1
  Sc  Sc4  8  0.1101  0.3631  0.8202  1
]