data_[Sm2Tm12Sc1]
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 [P2/m]
_cell_length_a [3.5219]
_cell_length_b [5.4004]
_cell_length_c [24.2500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm2Tm12Sc]
_chemical_formula_sum '[Sm2 Tm12 Sc1]'
_cell_volume [461.1541]
_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  2  0.2191  0.5000  0.2777  1
  Tm  Tm1  2  0.2077  0.5000  0.1269  1
  Tm  Tm2  2  0.2268  0.0000  0.9390  1
  Tm  Tm3  2  0.2433  0.0000  0.4458  1
  Tm  Tm4  2  0.2585  0.5000  0.5715  1
  Tm  Tm5  2  0.2733  0.0000  0.6675  1
  Tm  Tm6  2  0.2897  0.0000  0.8015  1
  Sc  Sc7  1  0.5000  0.5000  0.0000  1
]