data_[Sm6Y2Tm2Sc2]
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
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8891]
_cell_length_b [5.0048]
_cell_length_c [10.0213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm3YTmSc]
_chemical_formula_sum '[Sm6 Y2 Tm2 Sc2]'
_cell_volume [375.0436]
_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  2  0.1711  0.7500  0.0440  1.0
  Sm  Sm1  2  0.1739  0.2500  0.7904  1.0
  Sm  Sm2  2  0.1771  0.7500  0.5423  1.0
  Y  Y3  2  0.1759  0.2500  0.2967  1.0
  Tm  Tm4  2  0.4990  0.2500  0.1273  1.0
  Sc  Sc5  2  0.4985  0.7500  0.3780  1.0
]