data_[La2Tb6Sc2]
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 [P-1]
_cell_length_a [6.2617]
_cell_length_b [6.6895]
_cell_length_c [8.4002]
_cell_angle_alpha [77.2819]
_cell_angle_beta [68.1894]
_cell_angle_gamma [89.9615]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LaTb3Sc]
_chemical_formula_sum '[La2 Tb6 Sc2]'
_cell_volume [317.3820]
_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
[
  La  La0  2  0.1801  0.4446  0.7999  1
  Tb  Tb1  2  0.2079  0.3379  0.4005  1
  Tb  Tb2  2  0.3778  0.8518  0.4043  1
  Tb  Tb3  2  0.4126  0.7582  0.9971  1
  Sc  Sc4  2  0.0156  0.9519  0.8035  1
]