data_[Tm20Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0880]
_cell_length_b [6.0334]
_cell_length_c [8.8360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm5Sc2]
_chemical_formula_sum '[Tm20 Sc8]'
_cell_volume [799.6526]
_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
[
  Tm  Tm0  8  0.1390  0.1707  0.4625  1.0
  Tm  Tm1  8  0.2156  0.3351  0.8219  1.0
  Tm  Tm2  4  0.0000  0.1718  0.7500  1.0
  Sc  Sc3  8  0.0701  0.3353  0.1068  1.0
]