data_[Cs3Hg1Te2O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P-3m1]
_cell_length_a [6.1411]
_cell_length_b [6.1411]
_cell_length_c [7.6326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3HgTe2O9]
_chemical_formula_sum '[Cs3 Hg1 Te2 O9]'
_cell_volume [249.2819]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  2  0.3333  0.6667  0.6555  1
  Cs  Cs1  1  0.0000  0.0000  0.0000  1
  Hg  Hg2  1  0.0000  0.0000  0.5000  1
  Te  Te3  2  0.3333  0.6667  0.1603  1
  O  O4  6  0.1823  0.8177  0.2991  1
  O  O5  3  0.0000  0.5000  0.0000  1
]