data_[Li4Hg2Ir2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6958]
_cell_length_b [3.1002]
_cell_length_c [6.4691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2HgIrO4]
_chemical_formula_sum '[Li4 Hg2 Ir2 O8]'
_cell_volume [193.5021]
_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
[
  Li  Li0  4  0.2348  0.5000  0.1844  1.0
  Hg  Hg1  2  0.0000  0.5000  0.5000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.0000  1.0
  O  O3  4  0.1136  0.0000  0.2672  1.0
  O  O4  4  0.1151  0.5000  0.8992  1.0
]