data_[Tb16Hg4C6]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5434]
_cell_length_b [7.2764]
_cell_length_c [6.5096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1971]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Hg2C3]
_chemical_formula_sum '[Tb16 Hg4 C6]'
_cell_volume [658.0749]
_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  0.0943  0.2368  0.3879  1.0
  Tb  Tb1  4  0.1012  0.0000  0.8953  1.0
  Tb  Tb2  4  0.1106  0.5000  0.9671  1.0
  Hg  Hg3  4  0.2371  0.5000  0.6731  1.0
  C  C4  4  0.0000  0.2511  0.0000  1.0
  C  C5  2  0.0000  0.0000  0.5000  1.0
]