data_[Fe1Ir3O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2/m]
_cell_length_a [6.1350]
_cell_length_b [3.1715]
_cell_length_c [6.2530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0791]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Fe(IrO2)3]
_chemical_formula_sum '[Fe1 Ir3 O6]'
_cell_volume [114.9846]
_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
[
  Fe  Fe0  1  0.5000  0.0000  0.5000  1
  Ir  Ir1  1  0.0000  0.0000  0.0000  1
  Ir  Ir2  1  0.0000  0.5000  0.5000  1
  Ir  Ir3  1  0.5000  0.5000  0.0000  1
  O  O4  2  0.1058  0.0000  0.3417  1
  O  O5  2  0.3135  0.0000  0.0157  1
  O  O6  2  0.3707  0.5000  0.6502  1
]