data_[Tb12C4N2Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2860]
_cell_length_b [10.8885]
_cell_length_c [7.1249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6C2NCl3]
_chemical_formula_sum '[Tb12 C4 N2 Cl6]'
_cell_volume [466.0955]
_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  0.2283  0.1658  0.1877  1
  Tb  Tb1  4  0.2312  0.5000  0.1879  1
  C  C2  4  0.0000  0.3335  0.0000  1
  N  N3  2  0.0000  0.0000  0.0000  1
  Cl  Cl4  4  0.0000  0.1683  0.5000  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]