data_[H6Ir4]
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 [P-1]
_cell_length_a [5.1839]
_cell_length_b [5.1988]
_cell_length_c [17.9191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [118.3676]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [H3Ir2]
_chemical_formula_sum '[H6 Ir4]'
_cell_volume [424.9290]
_cell_formula_units_Z [2]
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  2  0.0018  0.7678  0.5801  1
  H  H1  2  0.0742  0.6953  0.4459  1
  Ir  Ir2  2  0.2534  0.5004  0.4828  1
  Ir  Ir3  2  0.2549  0.0070  0.5143  1
  H  H4  2  0.4781  0.2806  0.5815  1
]