data_[Al2H6O6]
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 [P-1]
_cell_length_a [5.1153]
_cell_length_b [5.1170]
_cell_length_c [5.1449]
_cell_angle_alpha [61.2099]
_cell_angle_beta [66.3655]
_cell_angle_gamma [70.1328]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al(HO)3]
_chemical_formula_sum '[Al2 H6 O6]'
_cell_volume [106.2997]
_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  0.0065  0.3312  0.3281  1
  H  H1  2  0.2528  0.9286  0.1244  1
  H  H2  2  0.3871  0.2029  0.6192  1
  H  H3  2  0.4266  0.5524  0.8286  1
  O  O4  2  0.2175  0.5903  0.9276  1
  O  O5  2  0.2233  0.3460  0.5424  1
  O  O6  2  0.2339  0.9533  0.3082  1
]