data_[Tb12C4Cl20]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6224]
_cell_length_b [9.0889]
_cell_length_c [8.9583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3CCl5]
_chemical_formula_sum '[Tb12 C4 Cl20]'
_cell_volume [973.6037]
_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  4  0.1603  0.5000  0.1657  1
  Tb  Tb1  4  0.2395  0.0000  0.3648  1
  Tb  Tb2  2  0.0000  0.0000  0.0000  1
  Tb  Tb3  2  0.0000  0.0000  0.5000  1
  C  C4  4  0.0618  0.0000  0.2786  1
  Cl  Cl5  8  0.1943  0.1899  0.6442  1
  Cl  Cl6  4  0.0000  0.3099  0.0000  1
  Cl  Cl7  4  0.0567  0.5000  0.3653  1
  Cl  Cl8  4  0.2380  0.0000  0.0579  1
]