data_[Rb4H16Ir4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8537]
_cell_length_b [6.0731]
_cell_length_c [4.7425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbH4Ir]
_chemical_formula_sum '[Rb4 H16 Ir4]'
_cell_volume [349.7225]
_cell_formula_units_Z [4]
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  4  0.1670  0.0000  0.2495  1.0
  H  H1  8  0.1072  0.3217  0.6360  1.0
  H  H2  4  0.0000  0.2945  0.0000  1.0
  Ir  Ir3  4  0.0529  0.5000  0.8030  1.0
  H  H4  4  0.1696  0.5000  0.0608  1.0
]