data_[Tb24Al8Hg4]
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 [9.7353]
_cell_length_b [9.9154]
_cell_length_c [10.5023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb6Al2Hg]
_chemical_formula_sum '[Tb24 Al8 Hg4]'
_cell_volume [1013.7725]
_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  0.2885  0.3239  1
  Tb  Tb1  8  0.1796  0.2715  0.0000  1
  Tb  Tb2  8  0.1992  0.0000  0.2487  1
  Al  Al3  4  0.0000  0.5000  0.1235  1
  Al  Al4  4  0.1401  0.5000  0.5000  1
  Hg  Hg5  2  0.0000  0.0000  0.0000  1
  Hg  Hg6  2  0.0000  0.0000  0.5000  1
]