data_[Tb2Tm2Sc6]
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 [P-1]
_cell_length_a [5.9259]
_cell_length_b [6.3526]
_cell_length_c [8.6900]
_cell_angle_alpha [72.3874]
_cell_angle_beta [89.9188]
_cell_angle_gamma [62.3231]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbTmSc3]
_chemical_formula_sum '[Tb2 Tm2 Sc6]'
_cell_volume [272.3471]
_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  0.0371  0.5915  0.6601  1.0
  Tm  Tm1  2  0.4259  0.8046  0.4459  1.0
  Sc  Sc2  2  0.1722  0.9912  0.7598  1.0
  Sc  Sc3  2  0.2379  0.1948  0.0472  1.0
  Sc  Sc4  2  0.3610  0.6032  0.1419  1.0
]