data_[Hg4Se4I4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0178]
_cell_length_b [6.2550]
_cell_length_c [6.3119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgSeIO4]
_chemical_formula_sum '[Hg4 Se4 I4 O16]'
_cell_volume [574.6298]
_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  0.1934  0.5000  0.7970  1
  Se  Se1  4  0.1487  0.5000  0.2508  1
  I  I2  4  0.0518  0.0000  0.7061  1
  O  O3  8  0.1708  0.2916  0.0951  1
  O  O4  4  0.0470  0.5000  0.2991  1
  O  O5  4  0.2329  0.5000  0.4901  1
]