data_[Rb1H1Ir1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.1995]
_cell_length_b [6.4148]
_cell_length_c [6.9536]
_cell_angle_alpha [92.4720]
_cell_angle_beta [90.9150]
_cell_angle_gamma [110.3642]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbHIrCl6]
_chemical_formula_sum '[Rb1 H1 Ir1 Cl6]'
_cell_volume [258.8703]
_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
[
  Rb  Rb0  1  0.0569  0.8919  0.0017  1.0
  Ir  Ir1  1  0.3094  0.6416  0.5001  1.0
  H  H2  1  0.7800  0.6135  0.4980  1.0
  Cl  Cl3  1  0.0523  0.8383  0.5001  1.0
  Cl  Cl4  1  0.0789  0.3946  0.2608  1.0
  Cl  Cl5  1  0.0994  0.4228  0.7397  1.0
  Cl  Cl6  1  0.5201  0.8644  0.2620  1.0
  Cl  Cl7  1  0.5374  0.8947  0.7379  1.0
  Cl  Cl8  1  0.5653  0.4381  0.4997  1.0
]