# generated using pymatgen
data_LiBH34(C3N)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.77611387
_cell_length_b   10.77620067
_cell_length_c   10.90388100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00023496
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBH34(C3N)4
_chemical_formula_sum   'Li2 B2 H68 C24 N8'
_cell_volume   1096.57552548
_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  0.66663700  0.33331800  0.92064000  1
  Li  Li1  1  0.33336300  0.66668200  0.42064000  1
  B  B2  1  0.66664200  0.33332000  0.66729700  1
  B  B3  1  0.33335800  0.66668000  0.16729700  1
  H  H4  1  0.73973100  0.49331400  0.27106900  1
  H  H5  1  0.50667800  0.24641800  0.27107100  1
  H  H6  1  0.75357700  0.26026200  0.27106800  1
  H  H7  1  0.26026900  0.50668600  0.77106900  1
  H  H8  1  0.49332200  0.75358200  0.77107100  1
  H  H9  1  0.24642300  0.73973800  0.77106800  1
  H  H10  1  0.60089300  0.48112800  0.17675100  1
  H  H11  1  0.51886100  0.11976500  0.17675500  1
  H  H12  1  0.88022700  0.39909800  0.17675100  1
  H  H13  1  0.39910700  0.51887200  0.67675100  1
  H  H14  1  0.48113900  0.88023500  0.67675500  1
  H  H15  1  0.11977300  0.60090200  0.67675100  1
  H  H16  1  0.82826000  0.70032500  0.13329200  1
  H  H17  1  0.29966200  0.12792900  0.13328800  1
  H  H18  1  0.87206600  0.17174000  0.13329200  1
  H  H19  1  0.17174000  0.29967500  0.63329200  1
  H  H20  1  0.70033800  0.87207100  0.63328800  1
  H  H21  1  0.12793400  0.82826000  0.63329200  1
  H  H22  1  0.91499100  0.60104800  0.10105400  1
  H  H23  1  0.39894400  0.31393700  0.10105500  1
  H  H24  1  0.68605700  0.08500600  0.10105600  1
  H  H25  1  0.08500900  0.39895200  0.60105400  1
  H  H26  1  0.60105600  0.68606300  0.60105500  1
  H  H27  1  0.31394300  0.91499400  0.60105600  1
  H  H28  1  0.56296100  0.55536800  0.00369000  1
  H  H29  1  0.44463400  0.00760100  0.00369000  1
  H  H30  1  0.99239400  0.43703200  0.00369000  1
  H  H31  1  0.43703900  0.44463200  0.50369000  1
  H  H32  1  0.55536600  0.99239900  0.50369000  1
  H  H33  1  0.00760600  0.56296800  0.50369000  1
  H  H34  1  0.62475900  0.60116900  0.84974700  1
  H  H35  1  0.39883200  0.02359300  0.84974600  1
  H  H36  1  0.97640400  0.37524000  0.84974500  1
  H  H37  1  0.37524100  0.39883100  0.34974700  1
  H  H38  1  0.60116800  0.97640700  0.34974600  1
  H  H39  1  0.02359600  0.62476000  0.34974500  1
  H  H40  1  0.69758400  0.73417700  0.96874300  1
  H  H41  1  0.26582500  0.96340900  0.96874400  1
  H  H42  1  0.03658800  0.30241800  0.96874200  1
  H  H43  1  0.30241600  0.26582300  0.46874300  1
  H  H44  1  0.73417500  0.03659100  0.46874400  1
  H  H45  1  0.96341200  0.69758200  0.46874200  1
  H  H46  1  0.86269400  0.65372000  0.79297100  1
  H  H47  1  0.34627800  0.20897400  0.79297000  1
  H  H48  1  0.79102300  0.13730200  0.79297300  1
  H  H49  1  0.13730600  0.34628000  0.29297100  1
  H  H50  1  0.65372200  0.79102600  0.29297000  1
  H  H51  1  0.20897700  0.86269800  0.29297300  1
  H  H52  1  0.98173800  0.65648600  0.90858500  1
  H  H53  1  0.34350900  0.32525100  0.90858400  1
  H  H54  1  0.67474600  0.01825200  0.90858400  1
  H  H55  1  0.01826200  0.34351400  0.40858500  1
  H  H56  1  0.65649100  0.67474900  0.40858400  1
  H  H57  1  0.32525400  0.98174800  0.40858400  1
  H  H58  1  0.93004800  0.79061900  0.90943800  1
  H  H59  1  0.20937600  0.13942600  0.90943800  1
  H  H60  1  0.86057700  0.06995400  0.90943800  1
  H  H61  1  0.06995100  0.20938100  0.40943800  1
  H  H62  1  0.79062400  0.86057400  0.40943800  1
  H  H63  1  0.13942300  0.93004600  0.40943800  1
  H  H64  1  0.57674200  0.21243700  0.70453600  1
  H  H65  1  0.78754100  0.36430500  0.70449100  1
  H  H66  1  0.63567100  0.42323300  0.70452500  1
  H  H67  1  0.42325800  0.78756300  0.20453600  1
  H  H68  1  0.21245900  0.63569500  0.20449100  1
  H  H69  1  0.36432900  0.57676700  0.20452500  1
  H  H70  1  0.66660700  0.33330400  0.55441500  1
  H  H71  1  0.33339300  0.66669600  0.05441500  1
  C  C72  1  0.70057700  0.47640600  0.17548400  1
  C  C73  1  0.52358400  0.22416700  0.17548300  1
  C  C74  1  0.77582600  0.29941800  0.17548000  1
  C  C75  1  0.29942300  0.52359400  0.67548400  1
  C  C76  1  0.47641600  0.77583300  0.67548300  1
  C  C77  1  0.22417400  0.70058200  0.67548000  1
  C  C78  1  0.81087600  0.59699100  0.09557800  1
  C  C79  1  0.40300300  0.21388600  0.09557900  1
  C  C80  1  0.78610500  0.18911400  0.09558100  1
  C  C81  1  0.18912400  0.40300900  0.59557800  1
  C  C82  1  0.59699700  0.78611400  0.59557900  1
  C  C83  1  0.21389500  0.81088600  0.59558100  1
  C  C84  1  0.65740700  0.61980200  0.94624000  1
  C  C85  1  0.38019900  0.03760700  0.94624300  1
  C  C86  1  0.96238800  0.34259000  0.94624300  1
  C  C87  1  0.34259300  0.38019800  0.44624000  1
  C  C88  1  0.61980100  0.96239300  0.44624300  1
  C  C89  1  0.03761200  0.65741000  0.44624300  1
  C  C90  1  0.89273700  0.67611500  0.89005300  1
  C  C91  1  0.32388400  0.21662200  0.89005700  1
  C  C92  1  0.78337500  0.10726400  0.89005700  1
  C  C93  1  0.10726300  0.32388500  0.39005300  1
  C  C94  1  0.67611600  0.78337800  0.39005700  1
  C  C95  1  0.21662500  0.89273600  0.39005700  1
  N  N96  1  0.66666000  0.33332800  0.13212700  1
  N  N97  1  0.33334000  0.66667200  0.63212700  1
  N  N98  1  0.76892600  0.58140200  0.96587500  1
  N  N99  1  0.41859400  0.18752200  0.96587700  1
  N  N100  1  0.81247000  0.23106700  0.96587300  1
  N  N101  1  0.23107400  0.41859800  0.46587500  1
  N  N102  1  0.58140600  0.81247800  0.46587700  1
  N  N103  1  0.18753000  0.76893300  0.46587300  1
