data_[Sr6Ir4O14]
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/m]
_cell_length_a [5.5430]
_cell_length_b [5.7079]
_cell_length_c [10.7182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4342]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Ir2O7]
_chemical_formula_sum '[Sr6 Ir4 O14]'
_cell_volume [328.4084]
_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  0.1932  0.5000  0.3700  1.0
  Sr  Sr1  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir2  4  0.0999  0.0000  0.1984  1.0
  O  O3  8  0.1237  0.2733  0.8052  1.0
  O  O4  4  0.1946  0.0000  0.3940  1.0
  O  O5  2  0.0000  0.0000  0.0000  1.0
]