data_[Rb1Ba1Al1H6]
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
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.5748]
_cell_length_b [5.5748]
_cell_length_c [4.6532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [RbBaAlH6]
_chemical_formula_sum '[Rb1 Ba1 Al1 H6]'
_cell_volume [125.2387]
_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  0.6667  0.3333  0.8351  1.0
  Ba  Ba1  1  0.0000  0.0000  0.3008  1.0
  Al  Al2  1  0.3333  0.6667  0.5591  1.0
  H  H3  3  0.0320  0.5160  0.3418  1.0
  H  H4  3  0.1770  0.3541  0.7598  1.0
]