data_[Hg2Te2O8]
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 [P2/c]
_cell_length_a [5.1974]
_cell_length_b [6.1099]
_cell_length_c [5.2103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [HgTeO4]
_chemical_formula_sum '[Hg2 Te2 O8]'
_cell_volume [163.5516]
_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
[
  Hg  Hg0  2  0.5000  0.3163  0.2500  1
  Te  Te1  2  0.0000  0.1483  0.7500  1
  O  O2  4  0.2072  0.0881  0.4630  1
  O  O3  4  0.2405  0.3610  0.8953  1
]