data_[Tl8Hg4O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.6745]
_cell_length_b [6.4896]
_cell_length_c [7.3998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2HgO2]
_chemical_formula_sum '[Tl8 Hg4 O8]'
_cell_volume [503.5393]
_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  0.0776  0.7450  0.9423  1.0
  Tl  Tl1  4  0.4181  0.7247  0.8555  1.0
  Hg  Hg2  4  0.2498  0.2263  0.8509  1.0
  O  O3  4  0.0714  0.1222  0.8508  1.0
  O  O4  4  0.4270  0.1640  0.3483  1.0
]