data_[Hg18Te6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.8883]
_cell_length_b [9.8883]
_cell_length_c [11.5516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Hg3TeO6]
_chemical_formula_sum '[Hg18 Te6 O36]'
_cell_volume [978.1739]
_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
[
  Hg  Hg0  18  0.0562  0.6102  0.3595  1.0
  Te  Te1  3  0.0000  0.0000  0.0000  1.0
  Te  Te2  3  0.0000  0.0000  0.5000  1.0
  O  O3  18  0.0850  0.8958  0.4031  1.0
  O  O4  18  0.0860  0.1856  0.8982  1.0
]