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 [5.9042]
_cell_length_b [4.0355]
_cell_length_c [6.7643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrRuO3]
_chemical_formula_sum '[Sr2 Ru2 O6]'
_cell_volume [154.0457]
_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  0.4997  0.7500  0.2457  1
  Ru  Ru1  2  0.0090  0.7500  0.6717  1
  O  O2  2  0.0182  0.2500  0.6226  1
  O  O3  2  0.3023  0.7500  0.8784  1
  O  O4  2  0.3169  0.2500  0.3493  1
]