data_[Sm6Tm2Sc8]
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 [Pmn2_1]
_cell_length_a [10.9101]
_cell_length_b [7.0416]
_cell_length_c [6.0046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Sm3TmSc4]
_chemical_formula_sum '[Sm6 Tm2 Sc8]'
_cell_volume [461.3031]
_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  0.2496  0.3648  0.4885  1.0
  Sm  Sm1  2  0.0000  0.6360  0.6407  1.0
  Tm  Tm2  2  0.0000  0.3622  0.1391  1.0
  Sc  Sc3  4  0.2478  0.1133  0.9785  1.0
  Sc  Sc4  2  0.0000  0.1132  0.6508  1.0
  Sc  Sc5  2  0.0000  0.8869  0.1508  1.0
]