data_[Tl10Hg2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [19.8636]
_cell_length_b [4.5939]
_cell_length_c [8.0333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5HgTe4]
_chemical_formula_sum '[Tl10 Hg2 Te8]'
_cell_volume [719.3210]
_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
[
  Tl  Tl0  4  0.1817  0.0000  0.6048  1.0
  Tl  Tl1  4  0.1957  0.0000  0.0898  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0534  0.0000  0.8191  1.0
  Te  Te5  4  0.1459  0.5000  0.3248  1.0
]