data_[Cs1Cu1H6Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.2591]
_cell_length_b [6.1991]
_cell_length_c [4.9203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CsCuH6Ir]
_chemical_formula_sum '[Cs1 Cu1 H6 Ir1]'
_cell_volume [117.3020]
_cell_formula_units_Z [1]
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  1  0.0292  0.5000  0.9637  1.0
  Cu  Cu1  1  0.6903  0.0000  0.3024  1.0
  H  H2  2  0.3271  0.2533  0.5603  1.0
  H  H3  2  0.5382  0.1625  0.9789  1.0
  H  H4  1  0.2131  0.0000  0.3024  1.0
  Ir  Ir5  1  0.3774  0.0000  0.6726  1.0
  H  H6  1  0.9586  0.0000  0.6808  1.0
]