data_[Tb2Tl4Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  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 [17.0330]
_cell_length_b [4.4316]
_cell_length_c [8.8094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbTl2(HgTe2)2]
_chemical_formula_sum '[Tb2 Tl4 Hg4 Te8]'
_cell_volume [599.6212]
_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  0.0000  1.0
  Tl  Tl1  4  0.1226  0.0000  0.5611  1.0
  Hg  Hg2  4  0.1940  0.5000  0.0282  1.0
  Te  Te3  4  0.0177  0.5000  0.7679  1.0
  Te  Te4  4  0.1970  0.0000  0.2548  1.0
]