data_[Tb12Si4Hg2Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8153]
_cell_length_b [4.2483]
_cell_length_c [8.7355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Si2HgTe3]
_chemical_formula_sum '[Tb12 Si4 Hg2 Te6]'
_cell_volume [676.0344]
_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  0.0097  0.0000  0.2573  1.0
  Tb  Tb1  4  0.1693  0.5000  0.1090  1.0
  Tb  Tb2  4  0.1745  0.5000  0.5638  1.0
  Si  Si3  4  0.1667  0.0000  0.3321  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Te  Te5  4  0.1638  0.0000  0.8326  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]