data_[Tb8Al4Hg8]
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 [11.2492]
_cell_length_b [4.4853]
_cell_length_c [11.0819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2AlHg2]
_chemical_formula_sum '[Tb8 Al4 Hg8]'
_cell_volume [498.8609]
_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  0.0072  0.0000  0.3347  1.0
  Tb  Tb1  4  0.1858  0.0000  0.1034  1.0
  Al  Al2  4  0.2157  0.5000  0.3315  1.0
  Hg  Hg3  4  0.0346  0.5000  0.8827  1.0
  Hg  Hg4  4  0.1500  0.5000  0.5597  1.0
]