data_[Rb1Ba2H8Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.3397]
_cell_length_b [5.3397]
_cell_length_c [7.6164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [RbBa2H8Ir]
_chemical_formula_sum '[Rb1 Ba2 H8 Ir1]'
_cell_volume [188.0645]
_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  0.0000  0.0000  0.5000  1.0
  Ba  Ba1  2  0.3333  0.6667  0.2098  1.0
  H  H2  6  0.1499  0.2999  0.8751  1.0
  H  H3  2  0.3333  0.6667  0.5651  1.0
  Ir  Ir4  1  0.0000  0.0000  0.0000  1.0
]