data_[Sm4Tm4Sc8]
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/c]
_cell_length_a [6.6388]
_cell_length_b [8.0528]
_cell_length_c [8.5787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SmTmSc2]
_chemical_formula_sum '[Sm4 Tm4 Sc8]'
_cell_volume [458.6284]
_cell_formula_units_Z [4]
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  0.3728  0.0346  0.1813  1
  Tm  Tm1  4  0.1247  0.5208  0.3196  1
  Sc  Sc2  4  0.1187  0.1670  0.4926  1
  Sc  Sc3  4  0.3702  0.6673  0.0097  1
]