data_[Tb2Tm4Th2Sc2]
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 [P2_1/m]
_cell_length_a [6.1059]
_cell_length_b [5.6071]
_cell_length_c [9.3004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbTm2ThSc]
_chemical_formula_sum '[Tb2 Tm4 Th2 Sc2]'
_cell_volume [301.0988]
_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  2  0.2644  0.7500  0.6930  1
  Tm  Tm1  2  0.0780  0.7500  0.3038  1
  Tm  Tm2  2  0.4632  0.7500  0.1027  1
  Th  Th3  2  0.1288  0.2500  0.0993  1
  Sc  Sc4  2  0.3349  0.2500  0.4942  1
]