data_[Cs1Ag1H6Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.7537]
_cell_length_b [5.9413]
_cell_length_c [5.2212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CsAgH6Ir]
_chemical_formula_sum '[Cs1 Ag1 H6 Ir1]'
_cell_volume [132.7805]
_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  0.9786  0.0000  0.0382  1.0
  Ag  Ag1  1  0.3087  0.5000  0.6868  1.0
  H  H2  2  0.4809  0.3224  0.0511  1.0
  H  H3  2  0.6737  0.2356  0.4327  1.0
  Ir  Ir4  1  0.6321  0.5000  0.3271  1.0
  H  H5  1  0.7903  0.5000  0.6758  1.0
  H  H6  1  0.9806  0.5000  0.3046  1.0
]