data_[Tb20Hg8H4C4]
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
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7472]
_cell_length_b [17.4986]
_cell_length_c [12.9638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb5Hg2HC]
_chemical_formula_sum '[Tb20 Hg8 H4 C4]'
_cell_volume [850.0386]
_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  0.0000  0.0481  0.0208  1.0
  Tb  Tb1  4  0.0000  0.3075  0.6482  1.0
  Tb  Tb2  4  0.0000  0.3089  0.3882  1.0
  Tb  Tb3  4  0.0000  0.3354  0.0164  1.0
  Tb  Tb4  4  0.0000  0.4990  0.2741  1.0
  Hg  Hg5  4  0.0000  0.1273  0.7017  1.0
  Hg  Hg6  4  0.0000  0.1288  0.3303  1.0
  H  H7  4  0.0000  0.4348  0.4257  1.0
  C  C8  4  0.0000  0.1942  0.0186  1.0
]