data_[Cs4H12Ir2]
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 [P4_2/mnm]
_cell_length_a [5.4976]
_cell_length_b [5.4976]
_cell_length_c [11.8127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Cs2H6Ir]
_chemical_formula_sum '[Cs4 H12 Ir2]'
_cell_volume [357.0269]
_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  4  0.0000  0.0000  0.3383  1
  H  H1  8  0.1443  0.8557  0.1062  1
  H  H2  4  0.2171  0.2171  0.0000  1
  Ir  Ir3  2  0.0000  0.0000  0.0000  1
]