data_[Tl2Sn2Hg2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2039]
_cell_length_b [4.2134]
_cell_length_c [9.8662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlSnHgTe2]
_chemical_formula_sum '[Tl2 Sn2 Hg2 Te4]'
_cell_volume [367.1997]
_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  2  0.1830  0.7500  0.6682  1.0
  Sn  Sn1  2  0.1371  0.7500  0.1664  1.0
  Hg  Hg2  2  0.4990  0.2500  0.7617  1.0
  Te  Te3  2  0.1848  0.2500  0.3943  1.0
  Te  Te4  2  0.1977  0.2500  0.9551  1.0
]