data_[Sm2Tm6Sc8]
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 [10.7488]
_cell_length_b [6.9347]
_cell_length_c [5.9939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [SmTm3Sc4]
_chemical_formula_sum '[Sm2 Tm6 Sc8]'
_cell_volume [446.7870]
_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  0.0000  0.3666  0.1438  1.0
  Tm  Tm1  4  0.2494  0.6336  0.9859  1.0
  Tm  Tm2  2  0.0000  0.6329  0.6419  1.0
  Sc  Sc3  4  0.2478  0.8826  0.4784  1.0
  Sc  Sc4  2  0.0000  0.1167  0.6508  1.0
  Sc  Sc5  2  0.0000  0.8822  0.1502  1.0
]