data_[Tb12C4N2O6]
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
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3098]
_cell_length_b [3.5273]
_cell_length_c [7.0253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6C2NO3]
_chemical_formula_sum '[Tb12 C4 N2 O6]'
_cell_volume [369.5889]
_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  0.0024  0.0000  0.2451  1.0
  Tb  Tb1  4  0.1651  0.5000  0.0876  1.0
  Tb  Tb2  4  0.1679  0.5000  0.5794  1.0
  C  C3  4  0.1645  0.0000  0.3295  1.0
  N  N4  2  0.0000  0.5000  0.0000  1.0
  O  O5  4  0.1662  0.0000  0.8345  1.0
  O  O6  2  0.0000  0.5000  0.5000  1.0
]