data_[Tb12Si4Hg2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3297]
_cell_length_b [4.1335]
_cell_length_c [8.4248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Si2HgSe3]
_chemical_formula_sum '[Tb12 Si4 Hg2 Se6]'
_cell_volume [611.2497]
_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  4  0.0004  0.0000  0.2650  1.0
  Tb  Tb1  4  0.1714  0.5000  0.0914  1.0
  Tb  Tb2  4  0.1715  0.5000  0.5697  1.0
  Si  Si3  4  0.1631  0.0000  0.3244  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1667  0.0000  0.8289  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]