data_[Ni4Hg4Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  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 [5.4052]
_cell_length_b [9.3504]
_cell_length_c [6.2278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni2Hg2IrO6]
_chemical_formula_sum '[Ni4 Hg4 Ir2 O12]'
_cell_volume [311.6200]
_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
[
  Ni  Ni0  4  0.0000  0.3410  0.5000  1.0
  Hg  Hg1  4  0.0000  0.1663  0.0000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.1263  0.1651  0.3315  1.0
  O  O4  4  0.1571  0.5000  0.3385  1.0
]