data_[Sr2Fe1Ir1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Fe  1.8300  1.4000  0.8525
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6133]
_cell_length_b [5.6138]
_cell_length_c [5.6192]
_cell_angle_alpha [60.4317]
_cell_angle_beta [60.1205]
_cell_angle_gamma [60.2500]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2FeIrO6]
_chemical_formula_sum '[Sr2 Fe1 Ir1 O6]'
_cell_volume [125.9655]
_cell_formula_units_Z [1]
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  0.2499  0.2497  0.2504  1
  Fe  Fe1  1  0.5000  0.5000  0.5000  1
  Ir  Ir2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.2216  0.7617  0.2744  1
  O  O4  2  0.2437  0.7102  0.7935  1
  O  O5  2  0.2795  0.2166  0.7341  1
]