data_[Tb12C6S4Cl2]
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
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7860]
_cell_length_b [3.7215]
_cell_length_c [7.7812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6C3S2Cl]
_chemical_formula_sum '[Tb12 C6 S4 Cl2]'
_cell_volume [465.9137]
_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  0.0102  0.0000  0.7176  1.0
  Tb  Tb1  4  0.1601  0.5000  0.6023  1.0
  Tb  Tb2  4  0.1786  0.5000  0.0624  1.0
  C  C3  4  0.1666  0.0000  0.8335  1.0
  C  C4  2  0.0000  0.5000  0.5000  1.0
  S  S5  4  0.1638  0.0000  0.3277  1.0
  Cl  Cl6  2  0.0000  0.5000  0.0000  1.0
]