data_[Cs6Tl4Hg10Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [I4/mmm]
_cell_length_a [5.4738]
_cell_length_b [5.4738]
_cell_length_c [38.2398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs3Tl2Hg5Te2]
_chemical_formula_sum '[Cs6 Tl4 Hg10 Te4]'
_cell_volume [1145.7654]
_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
[
  Cs  Cs0  4  0.0000  0.0000  0.2039  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.0000  0.0000  0.3809  1
  Hg  Hg3  8  0.0000  0.5000  0.0697  1
  Hg  Hg4  2  0.0000  0.0000  0.5000  1
  Te  Te5  4  0.0000  0.0000  0.3067  1
]