data_AlH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   2.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al2 H6'
_cell_volume   66.24
_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  0.82  0.63  0.8  1.0
  Al  Al1  1  0.0  0.26  0.6  1.0
  H  H2  1  0.0  0.97  0.8  1.0
  H  H3  1  0.89  0.9  0.8  1.0
  H  H4  1  0.11  0.9  0.8  1.0
  H  H5  1  0.71  0.99  0.6  1.0
  H  H6  1  0.93  0.99  0.6  1.0
  H  H7  1  0.82  0.91  0.6  1.0

data_AlH3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.4
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlH3
_chemical_formula_sum   'Al2 H6'
_cell_volume   66.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.4  0.59  0.81  1.0
  H  H1  2  0.4  0.3  0.54  1.0
  H  H2  2  0.4  0.41  0.47  1.0
  H  H3  2  0.4  0.52  0.54  1.0

Al Al H H H H H H