data_[Tb8Er4Tm4Sc20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
  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 [5.3131]
_cell_length_b [18.4578]
_cell_length_c [10.3137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb2ErTmSc5]
_chemical_formula_sum '[Tb8 Er4 Tm4 Sc20]'
_cell_volume [1011.4506]
_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  0.1084  0.7319  1
  Tb  Tb1  4  0.0000  0.1128  0.3222  1
  Er  Er2  4  0.0000  0.4170  0.4615  1
  Tm  Tm3  4  0.0000  0.2068  0.0095  1
  Sc  Sc4  4  0.0000  0.0208  0.0317  1
  Sc  Sc5  4  0.0000  0.2863  0.2999  1
  Sc  Sc6  4  0.0000  0.2991  0.7104  1
  Sc  Sc7  4  0.0000  0.3972  0.0216  1
  Sc  Sc8  4  0.0000  0.4791  0.7352  1
]