data_[Na4Sc2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5005]
_cell_length_b [5.5516]
_cell_length_c [9.5900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2ScIrO6]
_chemical_formula_sum '[Na4 Sc2 Ir2 O12]'
_cell_volume [239.6203]
_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
[
  Na  Na0  4  0.2540  0.5295  0.7500  1.0
  Sc  Sc1  2  0.5000  0.0000  0.0000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1712  0.5143  0.2386  1.0
  O  O4  4  0.2315  0.2203  0.0354  1.0
  O  O5  4  0.3136  0.6988  0.0338  1.0
]