data_[Sm6Tm8Sc2]
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 [11.1543]
_cell_length_b [7.1794]
_cell_length_c [6.1961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Sm3Tm4Sc]
_chemical_formula_sum '[Sm6 Tm8 Sc2]'
_cell_volume [496.1909]
_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  0.2495  0.3755  0.4796  1.0
  Sm  Sm1  2  0.0000  0.6270  0.6477  1.0
  Tm  Tm2  4  0.2452  0.1240  0.9840  1.0
  Tm  Tm3  2  0.0000  0.1225  0.6461  1.0
  Tm  Tm4  2  0.0000  0.8767  0.1498  1.0
  Sc  Sc5  2  0.0000  0.3704  0.1443  1.0
]