# generated using pymatgen
data_Li2AlB5(H19N3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79445385
_cell_length_b   7.79445385
_cell_length_c   15.90444700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999873
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AlB5(H19N3)2
_chemical_formula_sum   'Li4 Al2 B10 H76 N12'
_cell_volume   836.79791709
_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
  Li  Li0  1  0.66666700  0.33333300  0.71526200  1
  Li  Li1  1  0.66666700  0.33333300  0.21526200  1
  Li  Li2  1  0.33333300  0.66666700  0.28473800  1
  Li  Li3  1  0.33333300  0.66666700  0.78473800  1
  Al  Al4  1  0.00000000  0.00000000  0.50000000  1
  Al  Al5  1  0.00000000  0.00000000  0.00000000  1
  B  B6  1  0.00000000  0.37681400  0.75000000  1
  B  B7  1  0.37681400  0.00000000  0.75000000  1
  B  B8  1  0.62318600  0.62318600  0.75000000  1
  B  B9  1  0.00000000  0.62318600  0.25000000  1
  B  B10  1  0.62318600  0.00000000  0.25000000  1
  B  B11  1  0.37681400  0.37681400  0.25000000  1
  B  B12  1  0.66666700  0.33333300  0.54582400  1
  B  B13  1  0.66666700  0.33333300  0.04582400  1
  B  B14  1  0.33333300  0.66666700  0.45417600  1
  B  B15  1  0.33333300  0.66666700  0.95417600  1
  H  H16  1  0.24577100  0.13265900  0.36985800  1
  H  H17  1  0.88688900  0.75422900  0.36985800  1
  H  H18  1  0.86734100  0.11311100  0.36985800  1
  H  H19  1  0.24577100  0.11311100  0.86985800  1
  H  H20  1  0.86734100  0.75422900  0.86985800  1
  H  H21  1  0.88688900  0.13265900  0.86985800  1
  H  H22  1  0.75422900  0.86734100  0.63014200  1
  H  H23  1  0.11311100  0.24577100  0.63014200  1
  H  H24  1  0.13265900  0.88688900  0.63014200  1
  H  H25  1  0.75422900  0.88688900  0.13014200  1
  H  H26  1  0.13265900  0.24577100  0.13014200  1
  H  H27  1  0.11311100  0.86734100  0.13014200  1
  H  H28  1  0.37465600  0.15905000  0.45483700  1
  H  H29  1  0.78439400  0.62534400  0.45483700  1
  H  H30  1  0.84095000  0.21560600  0.45483700  1
  H  H31  1  0.37465600  0.21560600  0.95483700  1
  H  H32  1  0.84095000  0.62534400  0.95483700  1
  H  H33  1  0.78439400  0.15905000  0.95483700  1
  H  H34  1  0.62534400  0.84095000  0.54516300  1
  H  H35  1  0.21560600  0.37465600  0.54516300  1
  H  H36  1  0.15905000  0.78439400  0.54516300  1
  H  H37  1  0.62534400  0.78439400  0.04516300  1
  H  H38  1  0.15905000  0.37465600  0.04516300  1
  H  H39  1  0.21560600  0.84095000  0.04516300  1
  H  H40  1  0.24682400  0.94101300  0.41272200  1
  H  H41  1  0.69418900  0.75317600  0.41272200  1
  H  H42  1  0.05898700  0.30581100  0.41272200  1
  H  H43  1  0.24682400  0.30581100  0.91272200  1
  H  H44  1  0.05898700  0.75317600  0.91272200  1
  H  H45  1  0.69418900  0.94101300  0.91272200  1
  H  H46  1  0.75317600  0.05898700  0.58727800  1
  H  H47  1  0.30581100  0.24682400  0.58727800  1
  H  H48  1  0.94101300  0.69418900  0.58727800  1
  H  H49  1  0.75317600  0.69418900  0.08727800  1
  H  H50  1  0.94101300  0.24682400  0.08727800  1
  H  H51  1  0.30581100  0.05898700  0.08727800  1
  H  H52  1  0.10303200  0.51835600  0.70406900  1
  H  H53  1  0.41532500  0.89696800  0.70406900  1
  H  H54  1  0.48164400  0.58467500  0.70406900  1
  H  H55  1  0.10303200  0.58467500  0.20406900  1
  H  H56  1  0.48164400  0.89696800  0.20406900  1
  H  H57  1  0.41532500  0.51835600  0.20406900  1
  H  H58  1  0.89696800  0.48164400  0.29593100  1
  H  H59  1  0.58467500  0.10303200  0.29593100  1
  H  H60  1  0.51835600  0.41532500  0.29593100  1
  H  H61  1  0.89696800  0.41532500  0.79593100  1
  H  H62  1  0.51835600  0.10303200  0.79593100  1
  H  H63  1  0.58467500  0.48164400  0.79593100  1
  H  H64  1  0.89414400  0.23170000  0.70642500  1
  H  H65  1  0.33755600  0.10585600  0.70642500  1
  H  H66  1  0.76830000  0.66244400  0.70642500  1
  H  H67  1  0.89414400  0.66244400  0.20642500  1
  H  H68  1  0.76830000  0.10585600  0.20642500  1
  H  H69  1  0.33755600  0.23170000  0.20642500  1
  H  H70  1  0.10585600  0.76830000  0.29357500  1
  H  H71  1  0.66244400  0.89414400  0.29357500  1
  H  H72  1  0.23170000  0.33755600  0.29357500  1
  H  H73  1  0.10585600  0.33755600  0.79357500  1
  H  H74  1  0.23170000  0.89414400  0.79357500  1
  H  H75  1  0.66244400  0.76830000  0.79357500  1
  H  H76  1  0.66666700  0.33333300  0.46843400  1
  H  H77  1  0.66666700  0.33333300  0.96843400  1
  H  H78  1  0.33333300  0.66666700  0.53156600  1
  H  H79  1  0.33333300  0.66666700  0.03156600  1
  H  H80  1  0.53876800  0.17060300  0.57156500  1
  H  H81  1  0.63183500  0.46123200  0.57156500  1
  H  H82  1  0.82939700  0.36816500  0.57156500  1
  H  H83  1  0.53876800  0.36816500  0.07156500  1
  H  H84  1  0.82939700  0.46123200  0.07156500  1
  H  H85  1  0.63183500  0.17060300  0.07156500  1
  H  H86  1  0.46123200  0.82939700  0.42843500  1
  H  H87  1  0.36816500  0.53876800  0.42843500  1
  H  H88  1  0.17060300  0.63183500  0.42843500  1
  H  H89  1  0.46123200  0.63183500  0.92843500  1
  H  H90  1  0.17060300  0.53876800  0.92843500  1
  H  H91  1  0.36816500  0.82939700  0.92843500  1
  N  N92  1  0.24010700  0.06616200  0.42672900  1
  N  N93  1  0.82605500  0.75989300  0.42672900  1
  N  N94  1  0.93383800  0.17394500  0.42672900  1
  N  N95  1  0.24010700  0.17394500  0.92672900  1
  N  N96  1  0.93383800  0.75989300  0.92672900  1
  N  N97  1  0.82605500  0.06616200  0.92672900  1
  N  N98  1  0.75989300  0.93383800  0.57327100  1
  N  N99  1  0.17394500  0.24010700  0.57327100  1
  N  N100  1  0.06616200  0.82605500  0.57327100  1
  N  N101  1  0.75989300  0.82605500  0.07327100  1
  N  N102  1  0.06616200  0.24010700  0.07327100  1
  N  N103  1  0.17394500  0.93383800  0.07327100  1
