data_[Sr10Ir6O22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.5748]
_cell_length_b [5.6660]
_cell_length_c [16.7703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Sr5Ir3O11]
_chemical_formula_sum '[Sr10 Ir6 O22]'
_cell_volume [529.7185]
_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  0.0033  0.4863  0.1107  1.0
  Sr  Sr1  4  0.0171  0.9979  0.2700  1.0
  Sr  Sr2  2  0.0000  0.0002  0.5000  1.0
  Ir  Ir3  4  0.0048  0.4998  0.3771  1.0
  Ir  Ir4  2  0.0000  0.9919  0.0000  1.0
  O  O5  4  0.0019  0.9942  0.1241  1.0
  O  O6  4  0.0039  0.4992  0.2560  1.0
  O  O7  4  0.2162  0.7737  0.6206  1.0
  O  O8  4  0.2163  0.2262  0.6207  1.0
  O  O9  4  0.2390  0.7291  0.0000  1.0
  O  O10  2  0.0000  0.4999  0.5000  1.0
]