data_[Al2H10O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.1276]
_cell_length_b [6.1542]
_cell_length_c [4.1024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [AlH5O4]
_chemical_formula_sum '[Al2 H10 O8]'
_cell_volume [129.4547]
_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
[
  Al  Al0  2  0.0000  0.0000  0.7285  1
  H  H1  8  0.1498  0.1564  0.2056  1
  H  H2  2  0.0000  0.5000  0.5166  1
  O  O3  4  0.0000  0.2092  0.0473  1
  O  O4  4  0.2352  0.5000  0.5354  1
]