data_[Tb8Er20Sc8]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.4452]
_cell_length_b [20.1889]
_cell_length_c [9.8092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Tb2Er5Sc2]
_chemical_formula_sum '[Tb8 Er20 Sc8]'
_cell_volume [1078.3601]
_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  0.0000  0.0000  1
  Tb  Tb1  4  0.0000  0.2500  0.8394  1
  Er  Er2  8  0.0000  0.1108  0.6392  1
  Er  Er3  8  0.0000  0.1627  0.1322  1
  Er  Er4  4  0.0000  0.2500  0.4445  1
  Sc  Sc5  8  0.0000  0.0487  0.3393  1
]