data_[U4Hg4I4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Hg  2.0000  1.5000  1.2450
  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 [13.0700]
_cell_length_b [8.0284]
_cell_length_c [7.9424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UHgIO4]
_chemical_formula_sum '[U4 Hg4 I4 O16]'
_cell_volume [716.2365]
_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
[
  U  U0  4  0.1474  0.5000  0.1786  1
  Hg  Hg1  4  0.1812  0.0000  0.1862  1
  I  I2  4  0.0573  0.0000  0.7029  1
  O  O3  8  0.1741  0.2509  0.1685  1
  O  O4  4  0.0437  0.5000  0.8903  1
  O  O5  4  0.2204  0.5000  0.4519  1
]