data_[La2Tb6Sc8]
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 [Pmn2_1]
_cell_length_a [10.9427]
_cell_length_b [7.0745]
_cell_length_c [6.0054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LaTb3Sc4]
_chemical_formula_sum '[La2 Tb6 Sc8]'
_cell_volume [464.9022]
_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  4  0.2484  0.3614  0.4905  1.0
  La  La1  2  0.0000  0.3654  0.1353  1.0
  Tb  Tb2  2  0.0000  0.6378  0.6405  1.0
  Sc  Sc3  4  0.2472  0.8869  0.4794  1.0
  Sc  Sc4  2  0.0000  0.1092  0.6487  1.0
  Sc  Sc5  2  0.0000  0.8872  0.1510  1.0
]