data_[Sr2Cu2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.5007]
_cell_length_b [8.7005]
_cell_length_c [5.3073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [SrCuIrO6]
_chemical_formula_sum '[Sr2 Cu2 Ir2 O12]'
_cell_volume [253.2284]
_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  0.0000  0.0276  0.5000  1.0
  Cu  Cu1  2  0.0000  0.3347  0.0000  1.0
  Ir  Ir2  2  0.0000  0.6774  0.0000  1.0
  O  O3  4  0.1205  0.4970  0.1979  1.0
  O  O4  4  0.1555  0.7977  0.2426  1.0
  O  O5  4  0.1939  0.1848  0.1736  1.0
]