data_[Li4Ni4Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  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 [5.2807]
_cell_length_b [8.8602]
_cell_length_c [5.1714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ni2IrO6]
_chemical_formula_sum '[Li4 Ni4 Ir2 O12]'
_cell_volume [226.0163]
_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  0.0000  0.1752  0.0000  1.0
  Ni  Ni1  4  0.0000  0.3377  0.5000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.2311  0.1639  0.7203  1.0
  O  O4  4  0.2323  0.0000  0.2776  1.0
]