data_[Tm14Sc6]
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/m]
_cell_length_a [17.4461]
_cell_length_b [4.8246]
_cell_length_c [6.8490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm7Sc3]
_chemical_formula_sum '[Tm14 Sc6]'
_cell_volume [564.8129]
_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
[
  Tm  Tm0  4  0.0994  0.5000  0.8002  1
  Tm  Tm1  4  0.1015  0.5000  0.3021  1
  Tm  Tm2  4  0.2004  0.0000  0.1025  1
  Tm  Tm3  2  0.0000  0.0000  0.5000  1
  Sc  Sc4  4  0.2016  0.0000  0.5996  1
  Sc  Sc5  2  0.0000  0.0000  0.0000  1
]