data_[Tb16Al2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7375]
_cell_length_b [14.6996]
_cell_length_c [5.4087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8AlHg2]
_chemical_formula_sum '[Tb16 Al2 Hg4]'
_cell_volume [645.7225]
_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  0.2059  0.8874  0.1013  1
  Tb  Tb1  4  0.0000  0.2184  0.5000  1
  Tb  Tb2  4  0.1087  0.5000  0.3053  1
  Al  Al3  2  0.0000  0.0000  0.5000  1
  Hg  Hg4  4  0.0000  0.3063  0.0000  1
]