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 [5.0658]
_cell_length_b [5.0703]
_cell_length_c [5.2573]
_cell_angle_alpha [106.8848]
_cell_angle_beta [96.2937]
_cell_angle_gamma [118.0666]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al(HO)3]
_chemical_formula_sum '[Al2 H6 O6]'
_cell_volume [109.0595]
_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  0.1689  0.3294  0.0037  1.0
  H  H1  2  0.0638  0.6335  0.4105  1.0
  H  H2  2  0.2849  0.1710  0.4090  1.0
  H  H3  2  0.4574  0.0879  0.7906  1.0
  O  O4  2  0.0530  0.5185  0.7808  1.0
  O  O5  2  0.1997  0.0881  0.2056  1.0
  O  O6  2  0.4341  0.2669  0.7825  1.0
]