data_[Sr6La2Cu2Ru2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6759]
_cell_length_b [5.5595]
_cell_length_c [5.5953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sr3LaCuRuO8]
_chemical_formula_sum '[Sr6 La2 Cu2 Ru2 O16]'
_cell_volume [394.2961]
_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  0.1426  0.0000  0.4909  1.0
  Sr  Sr1  2  0.1443  0.5000  0.9989  1.0
  Sr  Sr2  2  0.3581  0.5000  0.5079  1.0
  La  La3  2  0.3584  0.0000  0.0120  1.0
  Cu  Cu4  2  0.0058  0.0000  0.9986  1.0
  Ru  Ru5  2  0.0048  0.5000  0.4996  1.0
  O  O6  4  0.4938  0.2425  0.7492  1.0
  O  O7  4  0.4958  0.2456  0.2513  1.0
  O  O8  2  0.1604  0.5000  0.5046  1.0
  O  O9  2  0.1769  0.0000  0.0142  1.0
  O  O10  2  0.3316  0.5000  0.9916  1.0
  O  O11  2  0.3379  0.0000  0.4806  1.0
]