data_[Cs8H8Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [11.6009]
_cell_length_b [11.6009]
_cell_length_c [4.7127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Cs4H4Ir]
_chemical_formula_sum '[Cs8 H8 Ir2]'
_cell_volume [634.2436]
_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
[
  Cs  Cs0  8  0.0674  0.7713  0.5000  1.0
  H  H1  8  0.0708  0.1298  0.0000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.0000  1.0
]