data_[Tb24C8O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.1150]
_cell_length_b [11.9306]
_cell_length_c [6.2522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb3CO]
_chemical_formula_sum '[Tb24 C8 O8]'
_cell_volume [961.0370]
_cell_formula_units_Z [8]
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  0.0868  0.3944  0.5469  1
  Tb  Tb1  8  0.0870  0.1157  0.5946  1
  Tb  Tb2  8  0.1372  0.2590  0.1308  1
  C  C3  4  0.0000  0.2116  0.2500  1
  C  C4  4  0.0000  0.2482  0.7500  1
  O  O5  8  0.0859  0.4322  0.1798  1
]