data_[Tc6Hg18O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.6183]
_cell_length_b [9.6183]
_cell_length_c [11.1380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tc(HgO2)3]
_chemical_formula_sum '[Tc6 Hg18 O36]'
_cell_volume [892.3510]
_cell_formula_units_Z [6]
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
[
  Tc  Tc0  3  0.0000  0.0000  0.0000  1
  Tc  Tc1  3  0.0000  0.0000  0.5000  1
  Hg  Hg2  18  0.0029  0.2763  0.2701  1
  O  O3  18  0.0620  0.8773  0.9023  1
  O  O4  18  0.0638  0.1870  0.5986  1
]