data_[Tb12Hg6C4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5185]
_cell_length_b [11.2487]
_cell_length_c [7.8974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Hg3C2S]
_chemical_formula_sum '[Tb12 Hg6 C4 S2]'
_cell_volume [557.4935]
_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  0.2408  0.1799  0.1890  1.0
  Tb  Tb1  4  0.2021  0.5000  0.1821  1.0
  Hg  Hg2  4  0.0000  0.1504  0.5000  1.0
  Hg  Hg3  2  0.0000  0.5000  0.5000  1.0
  C  C4  4  0.0000  0.3317  0.0000  1.0
  S  S5  2  0.0000  0.0000  0.0000  1.0
]