data_[Cs2Tl4Hg2Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.4392]
_cell_length_b [11.8097]
_cell_length_c [7.8984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsTl2HgBr6]
_chemical_formula_sum '[Cs2 Tl4 Hg2 Br12]'
_cell_volume [846.9390]
_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  2  0.0347  0.5000  0.0390  1.0
  Tl  Tl1  4  0.0583  0.2347  0.6037  1.0
  Hg  Hg2  2  0.3793  0.5000  0.9215  1.0
  Br  Br3  4  0.3069  0.2036  0.5927  1.0
  Br  Br4  4  0.3338  0.3248  0.0982  1.0
  Br  Br5  2  0.0825  0.0000  0.8689  1.0
  Br  Br6  2  0.0914  0.5000  0.5460  1.0
]