# Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics.
# This journal is © the Owner Societies 2019

# generated using pymatgen
data_LiAl5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98736707
_cell_length_b   7.98736707
_cell_length_c   7.98736707
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl5O8
_chemical_formula_sum   'Li4 Al20 O32'
_cell_volume   509.57830561
_cell_formula_units_Z   4
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
  Li  Li1  1  0.125000  0.875000  0.375000  1.0
  Li  Li2  1  0.875000  0.375000  0.125000  1.0
  Li  Li3  1  0.375000  0.125000  0.875000  1.0
  Li  Li4  1  0.625000  0.625000  0.625000  1.0
  Al  Al5  1  0.118726  0.625000  0.131274  1.0
  Al  Al6  1  0.125000  0.368726  0.881274  1.0
  Al  Al7  1  0.381274  0.375000  0.631274  1.0
  Al  Al8  1  0.375000  0.631274  0.381274  1.0
  Al  Al9  1  0.618726  0.875000  0.868726  1.0
  Al  Al10  1  0.625000  0.131274  0.118726  1.0
  Al  Al11  1  0.881274  0.125000  0.368726  1.0
  Al  Al12  1  0.875000  0.868726  0.618726  1.0
  Al  Al13  1  0.131274  0.118726  0.625000  1.0
  Al  Al14  1  0.631274  0.381274  0.375000  1.0
  Al  Al15  1  0.868726  0.618726  0.875000  1.0
  Al  Al16  1  0.368726  0.881274  0.125000  1.0
  Al  Al17  1  0.002378  0.497622  0.502378  1.0
  Al  Al18  1  0.252378  0.252378  0.252378  1.0
  Al  Al19  1  0.497622  0.502378  0.002378  1.0
  Al  Al20  1  0.247622  0.747622  0.752378  1.0
  Al  Al21  1  0.502378  0.002378  0.497622  1.0
  Al  Al22  1  0.752378  0.247622  0.747622  1.0
  Al  Al23  1  0.997622  0.997622  0.997622  1.0
  Al  Al24  1  0.747622  0.752378  0.247622  1.0
  O  O25  1  0.114717  0.133106  0.384526  1.0
  O  O26  1  0.616894  0.364717  0.134526  1.0
  O  O27  1  0.385283  0.866894  0.884526  1.0
  O  O28  1  0.883106  0.635283  0.634526  1.0
  O  O29  1  0.614717  0.366894  0.615474  1.0
  O  O30  1  0.116894  0.135283  0.865474  1.0
  O  O31  1  0.885283  0.633106  0.115474  1.0
  O  O32  1  0.383106  0.864717  0.365474  1.0
  O  O33  1  0.384526  0.114717  0.133106  1.0
  O  O34  1  0.134526  0.616894  0.364717  1.0
  O  O35  1  0.884526  0.385283  0.866894  1.0
  O  O36  1  0.634526  0.883106  0.635283  1.0
  O  O37  1  0.615474  0.614717  0.366894  1.0
  O  O38  1  0.865474  0.116894  0.135283  1.0
  O  O39  1  0.115474  0.885283  0.633106  1.0
  O  O40  1  0.365474  0.383106  0.864717  1.0
  O  O41  1  0.133106  0.384526  0.114717  1.0
  O  O42  1  0.364717  0.134526  0.616894  1.0
  O  O43  1  0.866894  0.884526  0.385283  1.0
  O  O44  1  0.635283  0.634526  0.883106  1.0
  O  O45  1  0.366894  0.615474  0.614717  1.0
  O  O46  1  0.135283  0.865474  0.116894  1.0
  O  O47  1  0.633106  0.115474  0.885283  1.0
  O  O48  1  0.864717  0.365474  0.383106  1.0
  O  O49  1  0.114494  0.614494  0.885506  1.0
  O  O50  1  0.135506  0.364494  0.635506  1.0
  O  O51  1  0.385506  0.385506  0.385506  1.0
  O  O52  1  0.364494  0.635506  0.135506  1.0
  O  O53  1  0.614494  0.885506  0.114494  1.0
  O  O54  1  0.635506  0.135506  0.364494  1.0
  O  O55  1  0.885506  0.114494  0.614494  1.0
  O  O56  1  0.864494  0.864494  0.864494  1.0
