data_[Sm18Tm6Sc3]
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 [R3m]
_cell_length_a [7.3618]
_cell_length_b [7.3618]
_cell_length_c [19.2737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sm6Tm2Sc]
_chemical_formula_sum '[Sm18 Tm6 Sc3]'
_cell_volume [904.6080]
_cell_formula_units_Z [3]
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  9  0.1715  0.3429  0.5664  1
  Sm  Sm1  9  0.1879  0.3757  0.7625  1
  Tm  Tm2  3  0.0000  0.0000  0.2460  1
  Tm  Tm3  3  0.0000  0.0000  0.4201  1
  Sc  Sc4  3  0.0000  0.0000  0.6814  1
]