data_[Tl4Hg4Se8O24]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7250]
_cell_length_b [11.6535]
_cell_length_c [7.5477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlHg(SeO3)2]
_chemical_formula_sum '[Tl4 Hg4 Se8 O24]'
_cell_volume [698.9446]
_cell_formula_units_Z [4]
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  0.0000  0.2079  0.7500  1
  Hg  Hg1  4  0.0000  0.4027  0.2500  1
  Se  Se2  8  0.1996  0.0948  0.2925  1
  O  O3  8  0.0841  0.3785  0.5547  1
  O  O4  8  0.1986  0.1894  0.1155  1
  O  O5  8  0.2025  0.0393  0.7013  1
]