data_[Sm8Tm4Sc2]
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_1/m]
_cell_length_a [6.1126]
_cell_length_b [6.5542]
_cell_length_c [11.3702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0462]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm4Tm2Sc]
_chemical_formula_sum '[Sm8 Tm4 Sc2]'
_cell_volume [439.9142]
_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  0.3582  0.0097  0.7156  1
  Sm  Sm1  2  0.0470  0.7500  0.8715  1
  Sm  Sm2  2  0.1525  0.7500  0.4451  1
  Tm  Tm3  2  0.2802  0.2500  0.4194  1
  Tm  Tm4  2  0.3856  0.2500  0.0023  1
  Sc  Sc5  2  0.1482  0.7500  0.1646  1
]