data_[Ba8Al10H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Immm]
_cell_length_a [5.4793]
_cell_length_b [9.5658]
_cell_length_c [11.9449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba4Al5H]
_chemical_formula_sum '[Ba8 Al10 H2]'
_cell_volume [626.0822]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  4  0.0000  0.0000  0.1697  1
  Ba  Ba1  4  0.0000  0.2299  0.5000  1
  Al  Al2  8  0.0000  0.3603  0.1942  1
  Al  Al3  2  0.0000  0.5000  0.0000  1
  H  H4  2  0.0000  0.5000  0.5000  1
]