data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   7.41
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al6 H18'
_cell_volume   233.99
_cell_formula_units_Z   6
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  0.88  0.78  0.0  1.0
  Al  Al1  1  0.57  0.63  0.0  1.0
  Al  Al2  1  0.15  0.33  0.9  1.0
  Al  Al3  1  0.73  0.0  0.9  1.0
  Al  Al4  1  0.3  0.08  0.9  1.0
  Al  Al5  1  0.0  0.7  0.0  1.0
  H  H6  1  0.62  0.61  0.06  1.0
  H  H7  1  0.25  0.03  0.0  1.0
  H  H8  1  0.78  0.92  0.9  1.0
  H  H9  1  0.83  0.8  0.06  1.0
  H  H10  1  0.94  0.22  0.0  1.0
  H  H11  1  0.53  0.67  0.9  1.0
  H  H12  1  0.11  0.32  0.62  1.0
  H  H13  1  0.93  0.74  0.9  1.0
  H  H14  1  0.67  0.49  0.9  1.0
  H  H15  1  0.0  0.0  0.0  1.0
  H  H16  1  0.2  0.38  0.0  1.0
  H  H17  1  0.51  0.19  0.0  1.0
  H  H18  1  0.35  0.09  0.62  1.0
  H  H19  1  0.11  0.32  0.17  1.0
  H  H20  1  0.83  0.8  0.73  1.0
  H  H21  1  0.35  0.09  0.17  1.0
  H  H22  1  0.62  0.61  0.73  1.0
  H  H23  1  0.73  0.7  0.9  1.0

data_AlH3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.45
_cell_length_b   5.79
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al6 H18'
_cell_volume   233.99
_cell_formula_units_Z   6
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  -0.0  0.0  0.3  1.0
  Al  Al1  1  0.12  0.0  0.22  1.0
  Al  Al2  1  0.27  0.1  0.0  1.0
  Al  Al3  1  0.43  0.0  0.37  1.0
  Al  Al4  1  0.7  0.1  0.92  1.0
  Al  Al5  1  0.85  0.1  0.67  1.0
  H  H6  1  0.0  0.0  0.0  1.0
  H  H7  1  0.06  0.0  0.78  1.0
  H  H8  1  0.07  0.1  0.26  1.0
  H  H9  1  0.17  0.27  0.2  1.0
  H  H10  1  0.17  0.94  0.2  1.0
  H  H11  1  0.22  0.1  0.08  1.0
  H  H12  1  0.27  0.1  0.3  1.0
  H  H13  1  0.33  0.1  0.51  1.0
  H  H14  1  0.38  0.27  0.39  1.0
  H  H15  1  0.38  0.94  0.39  1.0
  H  H16  1  0.47  0.1  0.33  1.0
  H  H17  1  0.49  0.0  0.81  1.0
  H  H18  1  0.65  0.38  0.91  1.0
  H  H19  1  0.65  0.83  0.91  1.0
  H  H20  1  0.75  0.0  0.97  1.0
  H  H21  1  0.8  0.0  0.62  1.0
  H  H22  1  0.89  0.38  0.68  1.0
  H  H23  1  0.89  0.83  0.68  1.0

Al Al Al Al Al Al H H H H H H H H H H H H H H H H H H