data_[Hg8Te4O20]
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 [Cc]
_cell_length_a [11.7059]
_cell_length_b [5.7804]
_cell_length_c [7.5347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Hg2TeO5]
_chemical_formula_sum '[Hg8 Te4 O20]'
_cell_volume [466.9340]
_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
[
  Hg  Hg0  4  0.0913  0.4975  0.5091  1
  Hg  Hg1  4  0.2580  0.0536  0.3265  1
  Te  Te2  4  0.4517  0.4973  0.7270  1
  O  O3  4  0.0426  0.2873  0.2227  1
  O  O4  4  0.1193  0.1384  0.8662  1
  O  O5  4  0.2912  0.3572  0.5965  1
  O  O6  4  0.3965  0.1908  0.2526  1
  O  O7  4  0.4571  0.3768  0.9810  1
]