data_[Tb6Tl2Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.0101]
_cell_length_b [9.0101]
_cell_length_c [6.4183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Tb3TlHg5]
_chemical_formula_sum '[Tb6 Tl2 Hg10]'
_cell_volume [451.2421]
_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  6  0.0000  0.3356  0.2500  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  6  0.0000  0.3347  0.7500  1
  Hg  Hg3  4  0.3333  0.6667  0.5000  1
]