data_[La3Tb36Sc18]
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 [R-3m]
_cell_length_a [14.5372]
_cell_length_b [14.5372]
_cell_length_c [10.0573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La(Tb2Sc)6]
_chemical_formula_sum '[La3 Tb36 Sc18]'
_cell_volume [1840.6800]
_cell_formula_units_Z [3]
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  18  0.0000  0.3871  0.5000  1
  Tb  Tb1  18  0.0758  0.1515  0.3086  1
  La  La2  3  0.0000  0.0000  0.0000  1
  Sc  Sc3  18  0.0536  0.5268  0.2225  1
]