data_[Tb8Ho4Tm4Sc20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.3180]
_cell_length_b [18.4525]
_cell_length_c [10.3470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2HoTmSc5]
_chemical_formula_sum '[Tb8 Ho4 Tm4 Sc20]'
_cell_volume [1015.3440]
_cell_formula_units_Z [4]
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  0.1072  0.7333  1
  Tb  Tb1  4  0.0000  0.1132  0.3230  1
  Ho  Ho2  4  0.0000  0.2077  0.0085  1
  Tm  Tm3  4  0.0000  0.4170  0.4618  1
  Sc  Sc4  4  0.0000  0.0211  0.0333  1
  Sc  Sc5  4  0.0000  0.2872  0.2969  1
  Sc  Sc6  4  0.0000  0.2989  0.7093  1
  Sc  Sc7  4  0.0000  0.3989  0.0226  1
  Sc  Sc8  4  0.0000  0.4786  0.7354  1
]