data_[Tb6Tm12Th2Sc4]
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
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0050]
_cell_length_b [10.4054]
_cell_length_c [11.5728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Tm6ThSc2]
_chemical_formula_sum '[Tb6 Tm12 Th2 Sc4]'
_cell_volume [712.1401]
_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  0.0000  0.1675  0.5000  1
  Tb  Tb1  2  0.0000  0.5000  0.5000  1
  Tm  Tm2  8  0.2482  0.1663  0.2457  1
  Tm  Tm3  4  0.2491  0.5000  0.2454  1
  Th  Th4  2  0.0000  0.0000  0.0000  1
  Sc  Sc5  4  0.0000  0.3330  0.0000  1
]