data_[H8Ir8]
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
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [7.9341]
_cell_length_b [7.9341]
_cell_length_c [2.7123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [HIr]
_chemical_formula_sum '[H8 Ir8]'
_cell_volume [170.7387]
_cell_formula_units_Z [8]
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  4  0.0483  0.1763  0.0000  1
  Ir  Ir1  4  0.1236  0.3639  0.0000  1
  Ir  Ir2  4  0.1761  0.6578  0.5000  1
  H  H3  4  0.3575  0.5775  0.5000  1
]