data_[Sr2Ru2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2189]
_cell_length_b [3.2532]
_cell_length_c [6.6068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrRuO3]
_chemical_formula_sum '[Sr2 Ru2 O6]'
_cell_volume [129.9228]
_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
[
  Sr  Sr0  2  0.3459  0.2500  0.2028  1.0
  Ru  Ru1  2  0.1383  0.7500  0.6322  1.0
  O  O2  2  0.0592  0.7500  0.3145  1.0
  O  O3  2  0.2765  0.7500  0.9188  1.0
  O  O4  2  0.3382  0.2500  0.6043  1.0
]