data_[Tb20Nd4Er8Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.5689]
_cell_length_b [19.7794]
_cell_length_c [10.3821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb5NdEr2Sc]
_chemical_formula_sum '[Tb20 Nd4 Er8 Sc4]'
_cell_volume [1143.5741]
_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  0.0182  0.0188  1
  Tb  Tb1  4  0.0000  0.2769  0.3213  1
  Tb  Tb2  4  0.0000  0.2984  0.7059  1
  Tb  Tb3  4  0.0000  0.3768  0.0205  1
  Tb  Tb4  4  0.0000  0.4813  0.7397  1
  Nd  Nd5  4  0.0000  0.4124  0.4538  1
  Er  Er6  4  0.0000  0.1119  0.3137  1
  Er  Er7  4  0.0000  0.1141  0.7357  1
  Sc  Sc8  4  0.0000  0.1958  0.0147  1
]