data_[Sr4Ru2O12]
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 [C2/m]
_cell_length_a [9.8166]
_cell_length_b [5.5064]
_cell_length_c [5.9627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2RuO6]
_chemical_formula_sum '[Sr4 Ru2 O12]'
_cell_volume [273.9213]
_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  4  0.2470  0.0000  0.7439  1
  Ru  Ru1  2  0.0000  0.5000  0.5000  1
  O  O2  8  0.0628  0.2605  0.3477  1
  O  O3  4  0.2080  0.5000  0.8057  1
]