data_[Tb12H6C4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1872]
_cell_length_b [10.7238]
_cell_length_c [6.1376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6H3C2N]
_chemical_formula_sum '[Tb12 H6 C4 N2]'
_cell_volume [383.5689]
_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  8  0.2419  0.1653  0.2300  1.0
  Tb  Tb1  4  0.2456  0.5000  0.2286  1.0
  H  H2  4  0.0000  0.1700  0.5000  1.0
  H  H3  2  0.0000  0.5000  0.5000  1.0
  C  C4  4  0.0000  0.3334  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.0000  1.0
]