data_[La4Tb20Sc12]
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 [C2/m]
_cell_length_a [14.6960]
_cell_length_b [11.2333]
_cell_length_c [9.5589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.5607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaTb5Sc3]
_chemical_formula_sum '[La4 Tb20 Sc12]'
_cell_volume [1216.5881]
_cell_formula_units_Z [4]
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  0.1308  0.2536  0.7357  1
  Tb  Tb1  4  0.0000  0.2567  0.0000  1
  La  La2  4  0.2177  0.0000  0.0406  1
  Tb  Tb3  4  0.2268  0.5000  0.2319  1
  Tb  Tb4  4  0.2462  0.5000  0.5883  1
  Sc  Sc5  4  0.0055  0.5000  0.8193  1
  Sc  Sc6  4  0.0181  0.0000  0.3608  1
  Sc  Sc7  2  0.0000  0.0000  0.0000  1
  Sc  Sc8  2  0.0000  0.5000  0.5000  1
]