data_[Tb18Er22Sc8]
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 [Cmmm]
_cell_length_a [16.3947]
_cell_length_b [24.7888]
_cell_length_c [3.5871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb9Er11Sc4]
_chemical_formula_sum '[Tb18 Er22 Sc8]'
_cell_volume [1457.7990]
_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  8  0.1032  0.2685  0.5000  1
  Tb  Tb1  8  0.1445  0.0724  0.5000  1
  Tb  Tb2  2  0.0000  0.5000  0.5000  1
  Er  Er3  8  0.2270  0.1801  0.0000  1
  Er  Er4  4  0.0000  0.1599  0.0000  1
  Er  Er5  4  0.0000  0.3703  0.0000  1
  Er  Er6  4  0.2024  0.5000  0.0000  1
  Er  Er7  2  0.0000  0.0000  0.0000  1
  Sc  Sc8  8  0.1555  0.3987  0.5000  1
]