# generated using pymatgen
data_LiAlH34(C3N)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89270677
_cell_length_b   10.89270677
_cell_length_c   11.15369400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000467
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlH34(C3N)4
_chemical_formula_sum   'Li2 Al2 H68 C24 N8'
_cell_volume   1146.09590814
_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  0.00487100  1
  Li  Li1  1  0.33333300  0.66666700  0.50487100  1
  Al  Al2  1  0.66666700  0.33333300  0.32478900  1
  Al  Al3  1  0.33333300  0.66666700  0.82478900  1
  H  H4  1  0.87837200  0.48022700  0.77151600  1
  H  H5  1  0.51977300  0.39814600  0.77151600  1
  H  H6  1  0.60185400  0.12162800  0.77151600  1
  H  H7  1  0.12162800  0.51977300  0.27151600  1
  H  H8  1  0.48022700  0.60185400  0.27151600  1
  H  H9  1  0.39814600  0.87837200  0.27151600  1
  H  H10  1  0.75622100  0.49350500  0.67560200  1
  H  H11  1  0.50649500  0.26271500  0.67560200  1
  H  H12  1  0.73728500  0.24377900  0.67560200  1
  H  H13  1  0.24377900  0.50649500  0.17560200  1
  H  H14  1  0.49350500  0.73728500  0.17560200  1
  H  H15  1  0.26271500  0.75622100  0.17560200  1
  H  H16  1  0.68506800  0.59997400  0.83802500  1
  H  H17  1  0.40002600  0.08509400  0.83802500  1
  H  H18  1  0.91490600  0.31493200  0.83802500  1
  H  H19  1  0.31493200  0.40002600  0.33802500  1
  H  H20  1  0.59997400  0.91490600  0.33802500  1
  H  H21  1  0.08509400  0.68506800  0.33802500  1
  H  H22  1  0.86998400  0.69585700  0.81192500  1
  H  H23  1  0.30414300  0.17412700  0.81192500  1
  H  H24  1  0.82587300  0.13001600  0.81192500  1
  H  H25  1  0.13001600  0.30414300  0.31192500  1
  H  H26  1  0.69585700  0.82587300  0.31192500  1
  H  H27  1  0.17412700  0.86998400  0.31192500  1
  H  H28  1  0.84594700  0.78089000  0.03120400  1
  H  H29  1  0.21911000  0.06505800  0.03120400  1
  H  H30  1  0.93494200  0.15405300  0.03120400  1
  H  H31  1  0.15405300  0.21911000  0.53120400  1
  H  H32  1  0.78089000  0.93494200  0.53120400  1
  H  H33  1  0.06505800  0.84594700  0.53120400  1
  H  H34  1  0.66218500  0.64855800  0.02867800  1
  H  H35  1  0.35144200  0.01362700  0.02867800  1
  H  H36  1  0.98637300  0.33781500  0.02867800  1
  H  H37  1  0.33781500  0.35144200  0.52867800  1
  H  H38  1  0.64855800  0.98637300  0.52867800  1
  H  H39  1  0.01362700  0.66218500  0.52867800  1
  H  H40  1  0.77555100  0.64618700  0.14389200  1
  H  H41  1  0.35381300  0.12936500  0.14389200  1
  H  H42  1  0.87063500  0.22444900  0.14389200  1
  H  H43  1  0.22444900  0.35381300  0.64389200  1
  H  H44  1  0.64618700  0.87063500  0.64389200  1
  H  H45  1  0.12936500  0.77555100  0.64389200  1
  H  H46  1  0.02285600  0.72387100  0.98734200  1
  H  H47  1  0.27612900  0.29898500  0.98734200  1
  H  H48  1  0.70101500  0.97714400  0.98734200  1
  H  H49  1  0.97714400  0.27612900  0.48734200  1
  H  H50  1  0.72387100  0.70101500  0.48734200  1
  H  H51  1  0.29898500  0.02285600  0.48734200  1
  H  H52  1  0.98080600  0.54926400  0.94624700  1
  H  H53  1  0.45073600  0.43154200  0.94624700  1
  H  H54  1  0.56845800  0.01919400  0.94624700  1
  H  H55  1  0.01919400  0.45073600  0.44624700  1
  H  H56  1  0.54926400  0.56845800  0.44624700  1
  H  H57  1  0.43154200  0.98080600  0.44624700  1
  H  H58  1  0.95296700  0.58459000  0.09669900  1
  H  H59  1  0.41541000  0.36837700  0.09669900  1
  H  H60  1  0.63162300  0.04703300  0.09669900  1
  H  H61  1  0.04703300  0.41541000  0.59669900  1
  H  H62  1  0.58459000  0.63162300  0.59669900  1
  H  H63  1  0.36837700  0.95296700  0.59669900  1
  H  H64  1  0.66666700  0.33333300  0.17620900  1
  H  H65  1  0.33333300  0.66666700  0.67620900  1
  H  H66  1  0.79928100  0.48482400  0.37094800  1
  H  H67  1  0.51517600  0.31445600  0.37094800  1
  H  H68  1  0.68554400  0.20071900  0.37094800  1
  H  H69  1  0.20071900  0.51517600  0.87094800  1
  H  H70  1  0.48482400  0.68554400  0.87094800  1
  H  H71  1  0.31445600  0.79928100  0.87094800  1
  C  C72  1  0.77519900  0.47538700  0.76968300  1
  C  C73  1  0.52461300  0.29981200  0.76968300  1
  C  C74  1  0.70018800  0.22480100  0.76968300  1
  C  C75  1  0.22480100  0.52461300  0.26968300  1
  C  C76  1  0.47538700  0.70018800  0.26968300  1
  C  C77  1  0.29981200  0.77519900  0.26968300  1
  C  C78  1  0.78282000  0.59414300  0.84736000  1
  C  C79  1  0.40585700  0.18867700  0.84736000  1
  C  C80  1  0.81132300  0.21718000  0.84736000  1
  C  C81  1  0.21718000  0.40585700  0.34736000  1
  C  C82  1  0.59414300  0.81132300  0.34736000  1
  C  C83  1  0.18867700  0.78282000  0.34736000  1
  C  C84  1  0.76889500  0.66741300  0.04855400  1
  C  C85  1  0.33258700  0.10148200  0.04855400  1
  C  C86  1  0.89851800  0.23110500  0.04855400  1
  C  C87  1  0.23110500  0.33258700  0.54855400  1
  C  C88  1  0.66741300  0.89851800  0.54855400  1
  C  C89  1  0.10148200  0.76889500  0.54855400  1
  C  C90  1  0.94692200  0.60958700  0.00224400  1
  C  C91  1  0.39041300  0.33733500  0.00224400  1
  C  C92  1  0.66266500  0.05307800  0.00224400  1
  C  C93  1  0.05307800  0.39041300  0.50224400  1
  C  C94  1  0.60958700  0.66266500  0.50224400  1
  C  C95  1  0.33733500  0.94692200  0.50224400  1
  N  N96  1  0.66666700  0.33333300  0.81039900  1
  N  N97  1  0.33333300  0.66666700  0.31039900  1
  N  N98  1  0.80109200  0.57507100  0.97539400  1
  N  N99  1  0.42492900  0.22602100  0.97539400  1
  N  N100  1  0.77397900  0.19890800  0.97539400  1
  N  N101  1  0.19890800  0.42492900  0.47539400  1
  N  N102  1  0.57507100  0.77397900  0.47539400  1
  N  N103  1  0.22602100  0.80109200  0.47539400  1
