data_[Tb12B4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.7951]
_cell_length_b [11.0450]
_cell_length_c [5.1851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3BO6]
_chemical_formula_sum '[Tb12 B4 O24]'
_cell_volume [503.6891]
_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  0.1910  0.1092  0.0251  1.0
  Tb  Tb1  4  0.0000  0.3949  0.0708  1.0
  B  B2  4  0.0000  0.1934  0.4731  1.0
  O  O3  8  0.1379  0.2548  0.3504  1.0
  O  O4  8  0.1601  0.4870  0.7937  1.0
  O  O5  4  0.0000  0.0642  0.3689  1.0
  O  O6  4  0.0000  0.2041  0.7634  1.0
]