data_[Ir4O4F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9670]
_cell_length_b [3.7318]
_cell_length_c [6.0446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [IrOF2]
_chemical_formula_sum '[Ir4 O4 F8]'
_cell_volume [189.2037]
_cell_formula_units_Z [4]
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
[
  Ir  Ir0  4  0.0005  0.0000  0.2497  1
  O  O1  4  0.0010  0.5000  0.7411  1
  F  F2  4  0.1607  0.0000  0.5846  1
  F  F3  4  0.1608  0.0000  0.0837  1
]