data_AlHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   3.7
_cell_length_c   26.33
_cell_angle_alpha   90.0
_cell_angle_beta   100.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHO2
_chemical_formula_sum   'Al2 H2 O4'
_cell_volume   280.9
_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  1  0.7  0.75  0.09  1.0
  Al  Al1  1  0.3  0.25  0.15  1.0
  H  H2  1  0.06  0.75  0.0  1.0
  H  H3  1  0.94  0.25  0.24  1.0
  O  O4  1  0.12  0.75  0.04  1.0
  O  O5  1  0.72  0.25  0.1  1.0
  O  O6  1  0.28  0.75  0.14  1.0
  O  O7  1  0.88  0.25  0.2  1.0

Al Al H H O O O O 0 4 o o o 0 4 + o o 0 6 o o o 0 6 + o o 0 5 o o o 0 5 o + o 1 6 o - o 1 6 o o o 1 5 - o o 1 5 o o o 1 7 - o o 1 7 o o o 2 4 o o o 3 7 o o o 
data_AlHO2
_symmetry_space_group_name_H-M   P2_1/m
_cell_length_a   2.93
_cell_length_b   3.7
_cell_length_c   25.93
_cell_angle_alpha   90.0
_cell_angle_beta   92.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   11
_chemical_formula_structural   AlHO2
_chemical_formula_sum   'Al2 H2 O4'
_cell_volume   280.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y+1/2, -z'
  4  'x, -y+1/2, 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  0.24  0.25  0.97  1.0
  H  H1  2  0.3  0.75  0.12  1.0
  O  O2  2  0.24  0.75  0.98  1.0
  O  O3  2  0.28  0.75  0.08  1.0
