data_[Tb12Hg2Ge4Te6]
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
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8830]
_cell_length_b [4.2667]
_cell_length_c [8.7439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6HgGe2Te3]
_chemical_formula_sum '[Tb12 Hg2 Ge4 Te6]'
_cell_volume [680.6001]
_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  0.0079  0.0000  0.2556  1.0
  Tb  Tb1  4  0.1684  0.5000  0.1051  1.0
  Tb  Tb2  4  0.1741  0.5000  0.5639  1.0
  Hg  Hg3  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge4  4  0.1660  0.0000  0.3304  1.0
  Te  Te5  4  0.1648  0.0000  0.8315  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]