data_[Tb24Hg3Te12Se9]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4913]
_cell_length_b [8.4913]
_cell_length_c [21.1921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb8HgTe4Se3]
_chemical_formula_sum '[Tb24 Hg3 Te12 Se9]'
_cell_volume [1323.2939]
_cell_formula_units_Z [3]
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  18  0.0023  0.5011  0.2576  1
  Tb  Tb1  6  0.0000  0.0000  0.2609  1
  Hg  Hg2  3  -0.0000  -0.0000  0.0000  1
  Te  Te3  9  0.0000  0.5000  0.5000  1
  Te  Te4  3  -0.0000  -0.0000  0.5000  1
  Se  Se5  9  0.0000  0.5000  0.0000  1
]