data_[H8Ir4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1870]
_cell_length_b [8.8666]
_cell_length_c [5.2764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [H2IrF6]
_chemical_formula_sum '[H8 Ir4 F24]'
_cell_volume [471.0034]
_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
[
  H  H0  8  0.1364  0.4822  0.2995  1.0
  Ir  Ir1  4  0.0000  0.0930  0.7500  1.0
  F  F2  8  0.1028  0.0782  0.1103  1.0
  F  F3  8  0.1116  0.2362  0.6259  1.0
  F  F4  8  0.1402  0.4442  0.1314  1.0
]