data_[La22Tb18Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [17.0891]
_cell_length_b [25.7842]
_cell_length_c [3.6391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La11Tb9Sc4]
_chemical_formula_sum '[La22 Tb18 Sc8]'
_cell_volume [1603.5052]
_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  0.1019  0.2690  0.5000  1
  Tb  Tb1  8  0.1457  0.0715  0.5000  1
  La  La2  8  0.2249  0.1799  0.0000  1
  La  La3  4  0.0000  0.1592  0.0000  1
  La  La4  4  0.0000  0.3706  0.0000  1
  La  La5  4  0.2007  0.5000  0.0000  1
  La  La6  2  0.0000  0.0000  0.0000  1
  Tb  Tb7  2  0.0000  0.5000  0.5000  1
  Sc  Sc8  8  0.1571  0.3974  0.5000  1
]