data_[Na4Sc2Ru2O12]
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
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4884]
_cell_length_b [5.5497]
_cell_length_c [9.5474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2ScRuO6]
_chemical_formula_sum '[Na4 Sc2 Ru2 O12]'
_cell_volume [238.4104]
_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  0.2453  0.0314  0.2501  1.0
  Sc  Sc1  2  0.5000  0.0000  0.0000  1.0
  Ru  Ru2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1587  0.2206  0.9640  1.0
  O  O4  4  0.2454  0.6972  0.9658  1.0
  O  O5  4  0.3061  0.0150  0.7380  1.0
]