data_[Sm6Tm4Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5609]
_cell_length_b [4.8384]
_cell_length_c [7.6999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3(TmSc2)2]
_chemical_formula_sum '[Sm6 Tm4 Sc8]'
_cell_volume [514.8639]
_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  0.1113  0.0000  0.6599  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Tm  Tm2  4  0.1670  0.5000  0.0026  1
  Sc  Sc3  4  0.0595  0.5000  0.3379  1
  Sc  Sc4  4  0.2211  0.0000  0.3382  1
]