data_[Tb2Hg6Se8Br2]
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
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [8.1289]
_cell_length_b [8.1289]
_cell_length_c [8.6319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [TbHg3Se4Br]
_chemical_formula_sum '[Tb2 Hg6 Se8 Br2]'
_cell_volume [493.9692]
_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  2  0.0000  0.0000  0.1165  1
  Hg  Hg1  6  0.0175  0.5087  0.2757  1
  Se  Se2  6  0.1429  0.2857  0.8595  1
  Se  Se3  2  0.3333  0.6667  0.1143  1
  Br  Br4  2  0.3333  0.6667  0.5475  1
]