# generated using pymatgen
data_LiB6H21N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81827891
_cell_length_b   9.81189359
_cell_length_c   16.87515373
_cell_angle_alpha   78.42777635
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB6H21N5
_chemical_formula_sum   'Li4 B24 H84 N20'
_cell_volume   1430.42590426
_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  Li0  1  0.60894676  0.09794489  0.35513188  1
  Li  Li1  1  0.10894676  0.40205511  0.14486812  1
  Li  Li2  1  0.39105324  0.90205511  0.64486812  1
  Li  Li3  1  0.89105324  0.59794489  0.85513188  1
  B  B4  1  0.91295456  0.61461330  0.42557680  1
  B  B5  1  0.41295456  0.88538670  0.07442320  1
  B  B6  1  0.08704544  0.38538670  0.57442320  1
  B  B7  1  0.58704544  0.11461330  0.92557680  1
  B  B8  1  0.08623360  0.53209292  0.40857660  1
  B  B9  1  0.58623360  0.96790708  0.09142340  1
  B  B10  1  0.91376640  0.46790708  0.59142340  1
  B  B11  1  0.41376640  0.03209292  0.90857660  1
  B  B12  1  0.08370264  0.65731811  0.47127476  1
  B  B13  1  0.58370264  0.84268189  0.02872524  1
  B  B14  1  0.91629736  0.34268189  0.52872524  1
  B  B15  1  0.41629736  0.15731811  0.97127476  1
  B  B16  1  0.91180800  0.63592915  0.52762413  1
  B  B17  1  0.41180800  0.86407085  0.97237587  1
  B  B18  1  0.08819200  0.36407085  0.47237587  1
  B  B19  1  0.58819200  0.13592915  0.02762413  1
  B  B20  1  0.80783893  0.49755751  0.49984435  1
  B  B21  1  0.30783893  0.00244249  0.00015565  1
  B  B22  1  0.19216107  0.50244249  0.50015565  1
  B  B23  1  0.69216107  0.99755751  0.99984435  1
  B  B24  1  0.91596840  0.43336928  0.42622760  1
  B  B25  1  0.41596840  0.06663072  0.07377240  1
  B  B26  1  0.08403160  0.56663072  0.57377240  1
  B  B27  1  0.58403160  0.93336928  0.92622760  1
  H  H28  1  0.89772907  0.01476110  0.35267632  1
  H  H29  1  0.39772907  0.48523890  0.14732368  1
  H  H30  1  0.10227093  0.98523890  0.64732368  1
  H  H31  1  0.60227093  0.51476110  0.85267632  1
  H  H32  1  0.87742738  0.10260589  0.42483083  1
  H  H33  1  0.37742738  0.39739411  0.07516917  1
  H  H34  1  0.12257262  0.89739411  0.57516917  1
  H  H35  1  0.62257262  0.60260589  0.92483083  1
  H  H36  1  0.83907344  0.93608873  0.44112361  1
  H  H37  1  0.33907344  0.56391127  0.05887639  1
  H  H38  1  0.16092656  0.06391127  0.55887639  1
  H  H39  1  0.66092656  0.43608873  0.94112361  1
  H  H40  1  0.60007568  0.26525740  0.45708152  1
  H  H41  1  0.10007568  0.23474260  0.04291848  1
  H  H42  1  0.39992432  0.73474260  0.54291848  1
  H  H43  1  0.89992432  0.76525740  0.95708152  1
  H  H44  1  0.48466855  0.13972599  0.49576354  1
  H  H45  1  0.98466855  0.36027401  0.00423646  1
  H  H46  1  0.51533145  0.86027401  0.50423646  1
  H  H47  1  0.01533145  0.63972599  0.99576354  1
  H  H48  1  0.42447455  0.26727433  0.42685706  1
  H  H49  1  0.92447455  0.23272567  0.07314294  1
  H  H50  1  0.57552545  0.73272567  0.57314294  1
  H  H51  1  0.07552545  0.76727433  0.92685706  1
  H  H52  1  0.51658877  0.83717150  0.34477137  1
  H  H53  1  0.01658877  0.66282850  0.15522863  1
  H  H54  1  0.48341123  0.16282850  0.65522863  1
  H  H55  1  0.98341123  0.33717150  0.84477137  1
  H  H56  1  0.35859402  0.91857640  0.35303099  1
  H  H57  1  0.85859402  0.58142360  0.14696901  1
  H  H58  1  0.64140598  0.08142360  0.64696901  1
  H  H59  1  0.14140598  0.41857640  0.85303099  1
  H  H60  1  0.45386230  0.95083835  0.26826824  1
  H  H61  1  0.95386230  0.54916165  0.23173176  1
  H  H62  1  0.54613770  0.04916165  0.73173176  1
  H  H63  1  0.04613770  0.45083835  0.76826824  1
  H  H64  1  0.61054805  0.34081326  0.24779005  1
  H  H65  1  0.11054805  0.15918674  0.25220995  1
  H  H66  1  0.38945195  0.65918674  0.75220995  1
  H  H67  1  0.88945195  0.84081326  0.74779005  1
  H  H68  1  0.60772469  0.21715058  0.19407206  1
  H  H69  1  0.10772469  0.28284942  0.30592794  1
  H  H70  1  0.39227531  0.78284942  0.80592794  1
  H  H71  1  0.89227531  0.71715058  0.69407206  1
  H  H72  1  0.76355431  0.25141050  0.23785475  1
  H  H73  1  0.26355431  0.24858950  0.26214525  1
  H  H74  1  0.23644569  0.74858950  0.76214525  1
  H  H75  1  0.73644569  0.75141050  0.73785475  1
  H  H76  1  0.93256682  0.94081245  0.19496784  1
  H  H77  1  0.43256682  0.55918755  0.30503216  1
  H  H78  1  0.06743318  0.05918755  0.80503216  1
  H  H79  1  0.56743318  0.44081245  0.69496784  1
  H  H80  1  0.11742085  0.94151886  0.18605940  1
  H  H81  1  0.61742085  0.55848114  0.31394060  1
  H  H82  1  0.88257915  0.05848114  0.81394060  1
  H  H83  1  0.38257915  0.44151886  0.68605940  1
  H  H84  1  0.03653572  0.85223640  0.26785956  1
  H  H85  1  0.53653572  0.64776360  0.23214044  1
  H  H86  1  0.96346428  0.14776360  0.73214044  1
  H  H87  1  0.46346428  0.35223640  0.76785956  1
  H  H88  1  0.85099025  0.69606452  0.37256141  1
  H  H89  1  0.35099025  0.80393548  0.12743859  1
  H  H90  1  0.14900975  0.30393548  0.62743859  1
  H  H91  1  0.64900975  0.19606452  0.87256141  1
  H  H92  1  0.14738449  0.55541698  0.34340215  1
  H  H93  1  0.64738449  0.94458302  0.15659785  1
  H  H94  1  0.85261551  0.44458302  0.65659785  1
  H  H95  1  0.35261551  0.05541698  0.84340215  1
  H  H96  1  0.14335401  0.76933429  0.45049157  1
  H  H97  1  0.64335401  0.73066571  0.04950843  1
  H  H98  1  0.85664599  0.23066571  0.54950843  1
  H  H99  1  0.35664599  0.26933429  0.95049157  1
  H  H100  1  0.84867420  0.73322039  0.54721302  1
  H  H101  1  0.34867420  0.76677961  0.95278698  1
  H  H102  1  0.15132580  0.26677961  0.45278698  1
  H  H103  1  0.65132580  0.23322039  0.04721302  1
  H  H104  1  0.67161373  0.49584258  0.49982349  1
  H  H105  1  0.17161373  0.00415742  0.00017651  1
  H  H106  1  0.32838627  0.50415742  0.50017651  1
  H  H107  1  0.82838627  0.99584258  0.99982349  1
  H  H108  1  0.85564157  0.38634456  0.37349108  1
  H  H109  1  0.35564157  0.11365544  0.12650892  1
  H  H110  1  0.14435843  0.61365544  0.62650892  1
  H  H111  1  0.64435843  0.88634456  0.87349108  1
  N  N112  1  0.82821122  0.02704439  0.39943087  1
  N  N113  1  0.32821122  0.47295561  0.10056913  1
  N  N114  1  0.17178878  0.97295561  0.60056913  1
  N  N115  1  0.67178878  0.52704439  0.89943087  1
  N  N116  1  0.51561074  0.20295419  0.44234428  1
  N  N117  1  0.01561074  0.29704581  0.05765572  1
  N  N118  1  0.48438926  0.79704581  0.55765572  1
  N  N119  1  0.98438926  0.70295419  0.94234428  1
  N  N120  1  0.46616284  0.93260046  0.32995344  1
  N  N121  1  0.96616284  0.56739954  0.17004656  1
  N  N122  1  0.53383716  0.06739954  0.67004656  1
  N  N123  1  0.03383716  0.43260046  0.82995344  1
  N  N124  1  0.64881298  0.24247402  0.24606346  1
  N  N125  1  0.14881298  0.25752598  0.25393654  1
  N  N126  1  0.35118702  0.75752598  0.75393654  1
  N  N127  1  0.85118702  0.74247402  0.74606346  1
  N  N128  1  0.03134426  0.94376818  0.22648411  1
  N  N129  1  0.53134426  0.55623182  0.27351589  1
  N  N130  1  0.96865574  0.05623182  0.77351589  1
  N  N131  1  0.46865574  0.44376818  0.72648411  1
