data_[Tl6Hg2O2]
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/m]
_cell_length_a [9.0628]
_cell_length_b [3.5468]
_cell_length_c [10.3166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl3HgO]
_chemical_formula_sum '[Tl6 Hg2 O2]'
_cell_volume [314.3149]
_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  0.0031  0.2500  0.3278  1.0
  Tl  Tl1  2  0.1829  0.7500  0.0093  1.0
  Tl  Tl2  2  0.3735  0.2500  0.3294  1.0
  Hg  Hg3  2  0.3060  0.2500  0.6461  1.0
  O  O4  2  0.1200  0.2500  0.1463  1.0
]