data_[Tb12Hg4Bi2Te6]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6617]
_cell_length_b [4.3200]
_cell_length_c [8.8840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9909]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6Hg2BiTe3]
_chemical_formula_sum '[Tb12 Hg4 Bi2 Te6]'
_cell_volume [709.1273]
_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  0.0113  0.0000  0.2572  1.0
  Tb  Tb1  4  0.1621  0.5000  0.6167  1.0
  Tb  Tb2  4  0.1719  0.5000  0.1288  1.0
  Hg  Hg3  4  0.1843  0.0000  0.3891  1.0
  Bi  Bi4  2  0.0000  0.5000  0.0000  1.0
  Te  Te5  4  0.1606  0.0000  0.8657  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]