data_[Tb24Al4Hg8]
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 [Immm]
_cell_length_a [9.9905]
_cell_length_b [10.0466]
_cell_length_c [10.2135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb6AlHg2]
_chemical_formula_sum '[Tb24 Al4 Hg8]'
_cell_volume [1025.1297]
_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  8  0.0000  0.3272  0.2694  1.0
  Tb  Tb1  8  0.1759  0.0000  0.2636  1.0
  Tb  Tb2  8  0.1951  0.2537  0.0000  1.0
  Al  Al3  2  0.0000  0.0000  0.0000  1.0
  Al  Al4  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg5  4  0.0000  0.1420  0.5000  1.0
  Hg  Hg6  4  0.1495  0.5000  0.5000  1.0
]