data_[Tb13Hg2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3947]
_cell_length_b [8.4672]
_cell_length_c [9.3184]
_cell_angle_alpha [68.3776]
_cell_angle_beta [78.3413]
_cell_angle_gamma [82.0719]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb13Hg2]
_chemical_formula_sum '[Tb13 Hg2]'
_cell_volume [458.2444]
_cell_formula_units_Z [1]
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  2  0.0498  0.4204  0.7064  1.0
  Tb  Tb1  2  0.2091  0.1809  0.2295  1.0
  Tb  Tb2  2  0.2540  0.5979  0.9432  1.0
  Tb  Tb3  2  0.2865  0.9889  0.6484  1.0
  Tb  Tb4  2  0.4579  0.3714  0.4162  1.0
  Tb  Tb5  2  0.4742  0.7947  0.1561  1.0
  Tb  Tb6  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg7  2  0.1246  0.7876  0.4533  1.0
]