data_[Tb12Tm4Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [11.0929]
_cell_length_b [4.9616]
_cell_length_c [10.5469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Tm2Sc]
_chemical_formula_sum '[Tb12 Tm4 Sc2]'
_cell_volume [550.4669]
_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
[
  Tb  Tb0  4  0.1635  0.5000  0.2193  1
  Tb  Tb1  4  0.1661  0.5000  0.5551  1
  Tb  Tb2  4  0.1676  0.5000  0.8908  1
  Tm  Tm3  4  0.0015  0.0000  0.6698  1
  Sc  Sc4  2  0.0000  0.0000  0.0000  1
]