data_[K2Sr4Ru2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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/c]
_cell_length_a [5.8227]
_cell_length_b [6.3225]
_cell_length_c [10.1300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KSr2RuO6]
_chemical_formula_sum '[K2 Sr4 Ru2 O12]'
_cell_volume [310.5766]
_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
[
  K  K0  2  0.5000  0.0000  0.0000  1.0
  Sr  Sr1  4  0.2823  0.5603  0.7640  1.0
  Ru  Ru2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.0843  0.5756  0.2057  1.0
  O  O4  4  0.2280  0.2480  0.5878  1.0
  O  O5  4  0.3139  0.6574  0.0402  1.0
]