# generated using pymatgen
data_LiZr3H18N4F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.33996300
_cell_length_b   11.56922300
_cell_length_c   12.82793191
_cell_angle_alpha   69.43225587
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZr3H18N4F19
_chemical_formula_sum   'Li4 Zr12 H72 N16 F76'
_cell_volume   1853.57753143
_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  0.12263800  0.24861100  0.24748700  1
  Li  Li1  1  0.62263800  0.25138900  0.25251300  1
  Li  Li2  1  0.37736200  0.74861100  0.74748700  1
  Li  Li3  1  0.87736200  0.75138900  0.75251300  1
  Zr  Zr4  1  0.12636100  0.58303300  0.76107300  1
  Zr  Zr5  1  0.37422900  0.77169600  0.25094400  1
  Zr  Zr6  1  0.87422900  0.72830400  0.24905600  1
  Zr  Zr7  1  0.12577100  0.27169600  0.75094400  1
  Zr  Zr8  1  0.12658900  0.91262400  0.73500000  1
  Zr  Zr9  1  0.37363900  0.08303300  0.26107300  1
  Zr  Zr10  1  0.62636100  0.91696700  0.73892700  1
  Zr  Zr11  1  0.37341100  0.41262400  0.23500000  1
  Zr  Zr12  1  0.87341100  0.08737600  0.26500000  1
  Zr  Zr13  1  0.62577100  0.22830400  0.74905600  1
  Zr  Zr14  1  0.62658900  0.58737600  0.76500000  1
  Zr  Zr15  1  0.87363900  0.41696700  0.23892700  1
  H  H16  1  0.62013700  0.07965800  0.00962500  1
  H  H17  1  0.13133700  0.05420400  0.99472800  1
  H  H18  1  0.59310100  0.56164800  0.11373900  1
  H  H19  1  0.11746600  0.43076300  0.35716600  1
  H  H20  1  0.56374000  0.54045400  0.39815800  1
  H  H21  1  0.43456300  0.17306100  0.60442400  1
  H  H22  1  0.56290500  0.95779500  0.10440000  1
  H  H23  1  0.87563800  0.86690500  0.52158500  1
  H  H24  1  0.87028400  0.31993400  0.01151100  1
  H  H25  1  0.34859500  0.06470700  0.61156000  1
  H  H26  1  0.12971600  0.68006600  0.98848900  1
  H  H27  1  0.18841400  0.71130000  0.09264700  1
  H  H28  1  0.37986300  0.92034200  0.99037500  1
  H  H29  1  0.81085500  0.03883200  0.89055300  1
  H  H30  1  0.65140500  0.93529300  0.38844000  1
  H  H31  1  0.94523100  0.20800100  0.59493500  1
  H  H32  1  0.62971600  0.81993400  0.51151100  1
  H  H33  1  0.90689900  0.06164800  0.61373900  1
  H  H34  1  0.93709500  0.45779500  0.60440000  1
  H  H35  1  0.88253400  0.56923700  0.64283400  1
  H  H36  1  0.93626000  0.04045400  0.89815800  1
  H  H37  1  0.11854400  0.82230300  0.50716200  1
  H  H38  1  0.87986300  0.57965800  0.50962500  1
  H  H39  1  0.81158600  0.28870000  0.90735300  1
  H  H40  1  0.61746600  0.06923700  0.14283400  1
  H  H41  1  0.44523100  0.29199900  0.90506500  1
  H  H42  1  0.67716600  0.67019700  0.11249800  1
  H  H43  1  0.05476900  0.79199900  0.40506500  1
  H  H44  1  0.68829300  0.96888000  0.10366700  1
  H  H45  1  0.37902200  0.86585300  0.51382800  1
  H  H46  1  0.82283400  0.17019700  0.61249800  1
  H  H47  1  0.86866300  0.94579600  0.00527200  1
  H  H48  1  0.06543700  0.67306100  0.10442400  1
  H  H49  1  0.31158600  0.21130000  0.59264700  1
  H  H50  1  0.37634300  0.58525500  0.61305500  1
  H  H51  1  0.37028400  0.18006600  0.48848900  1
  H  H52  1  0.43626000  0.45954600  0.60184200  1
  H  H53  1  0.12097800  0.36585300  0.01382800  1
  H  H54  1  0.40689900  0.43835200  0.88626100  1
  H  H55  1  0.12436200  0.13309500  0.47841500  1
  H  H56  1  0.63133700  0.44579600  0.50527200  1
  H  H57  1  0.15140500  0.56470700  0.11156000  1
  H  H58  1  0.87902200  0.63414700  0.98617200  1
  H  H59  1  0.62365700  0.41474500  0.38694500  1
  H  H60  1  0.81170700  0.46888000  0.60366700  1
  H  H61  1  0.37563800  0.63309500  0.97841500  1
  H  H62  1  0.32283400  0.32980300  0.88750200  1
  H  H63  1  0.18829300  0.53112000  0.39633300  1
  H  H64  1  0.38145600  0.32230300  0.00716200  1
  H  H65  1  0.17716600  0.82980300  0.38750200  1
  H  H66  1  0.56543700  0.82693900  0.39557600  1
  H  H67  1  0.43709500  0.04220500  0.89560000  1
  H  H68  1  0.31085500  0.46116800  0.60944700  1
  H  H69  1  0.55476900  0.70800100  0.09493500  1
  H  H70  1  0.68914500  0.53883200  0.39055300  1
  H  H71  1  0.31170700  0.03112000  0.89633300  1
  H  H72  1  0.62436200  0.36690500  0.02158500  1
  H  H73  1  0.36866300  0.55420400  0.49472800  1
  H  H74  1  0.12365700  0.08525500  0.11305500  1
  H  H75  1  0.84859500  0.43529300  0.88844000  1
  H  H76  1  0.62097800  0.13414700  0.48617200  1
  H  H77  1  0.18914500  0.96116800  0.10944700  1
  H  H78  1  0.06374000  0.95954600  0.10184200  1
  H  H79  1  0.87634300  0.91474500  0.88694500  1
  H  H80  1  0.61854400  0.67769700  0.99283800  1
  H  H81  1  0.09310100  0.93835200  0.38626100  1
  H  H82  1  0.06290500  0.54220500  0.39560000  1
  H  H83  1  0.68841400  0.78870000  0.40735300  1
  H  H84  1  0.93456300  0.32693900  0.89557600  1
  H  H85  1  0.12013700  0.42034200  0.49037500  1
  H  H86  1  0.38253400  0.93076300  0.85716600  1
  H  H87  1  0.88145600  0.17769700  0.49283800  1
  N  N88  1  0.12667200  0.01596100  0.08009300  1
  N  N89  1  0.11077800  0.84600000  0.42136200  1
  N  N90  1  0.62223100  0.01902000  0.09031100  1
  N  N91  1  0.37332800  0.51596100  0.58009300  1
  N  N92  1  0.13372800  0.65689200  0.07449000  1
  N  N93  1  0.87776900  0.51902000  0.59031100  1
  N  N94  1  0.87332800  0.98403900  0.91990700  1
  N  N95  1  0.86627200  0.34310800  0.92551000  1
  N  N96  1  0.37776900  0.98098000  0.90968900  1
  N  N97  1  0.88922200  0.15400000  0.57863800  1
  N  N98  1  0.12223100  0.48098000  0.40968900  1
  N  N99  1  0.61077800  0.65400000  0.07863800  1
  N  N100  1  0.63372800  0.84310800  0.42551000  1
  N  N101  1  0.38922200  0.34600000  0.92136200  1
  N  N102  1  0.62667200  0.48403900  0.41990700  1
  N  N103  1  0.36627200  0.15689200  0.57449000  1
  F  F104  1  0.62034200  0.48652400  0.93864300  1
  F  F105  1  0.27285900  0.63247100  0.75118700  1
  F  F106  1  0.52149000  0.18339700  0.87827000  1
  F  F107  1  0.72071700  0.08736300  0.27672000  1
  F  F108  1  0.37366800  0.60602400  0.21174600  1
  F  F109  1  0.78248800  0.58891200  0.22442500  1
  F  F110  1  0.77928300  0.58736300  0.77672000  1
  F  F111  1  0.47851000  0.81660300  0.12173000  1
  F  F112  1  0.02149000  0.31660300  0.62173000  1
  F  F113  1  0.63340100  0.58142300  0.60959500  1
  F  F114  1  0.87965800  0.98652400  0.43864300  1
  F  F115  1  0.86659900  0.08142300  0.10959500  1
  F  F116  1  0.02103000  0.37152500  0.23866400  1
  F  F117  1  0.77079400  0.82807900  0.13455000  1
  F  F118  1  0.88908500  0.71984200  0.93204400  1
  F  F119  1  0.61091500  0.21984200  0.43204400  1
  F  F120  1  0.72762300  0.18561900  0.87937600  1
  F  F121  1  0.52628300  0.41028500  0.23413500  1
  F  F122  1  0.77237700  0.68561900  0.37937600  1
  F  F123  1  0.03581600  0.40792900  0.78290800  1
  F  F124  1  0.87629200  0.21958000  0.35199000  1
  F  F125  1  0.12974800  0.21693400  0.41995400  1
  F  F126  1  0.47897000  0.87152500  0.73866400  1
  F  F127  1  0.02628300  0.08971500  0.26586500  1
  F  F128  1  0.21751200  0.41108800  0.77557500  1
  F  F129  1  0.37025200  0.71693400  0.91995400  1
  F  F130  1  0.77285900  0.86752900  0.74881300  1
  F  F131  1  0.11091500  0.28015800  0.06795600  1
  F  F132  1  0.52093100  0.33104800  0.63699000  1
  F  F133  1  0.27928300  0.91263700  0.72328000  1
  F  F134  1  0.87025200  0.78306600  0.58004600  1
  F  F135  1  0.87366800  0.89397600  0.28825400  1
  F  F136  1  0.72714100  0.36752900  0.24881300  1
  F  F137  1  0.47371700  0.58971500  0.76586500  1
  F  F138  1  0.28248800  0.91108800  0.27557500  1
  F  F139  1  0.22762300  0.31438100  0.62062400  1
  F  F140  1  0.37206200  0.22263200  0.34608100  1
  F  F141  1  0.63175300  0.01499300  0.56693100  1
  F  F142  1  0.71751200  0.08891200  0.72442500  1
  F  F143  1  0.97851000  0.68339700  0.37827000  1
  F  F144  1  0.38908500  0.78015800  0.56795600  1
  F  F145  1  0.86824700  0.51499300  0.06693100  1
  F  F146  1  0.22920600  0.17192100  0.86545000  1
  F  F147  1  0.62633200  0.39397600  0.78825400  1
  F  F148  1  0.62793800  0.77736800  0.65391900  1
  F  F149  1  0.37886600  0.07322400  0.10656400  1
  F  F150  1  0.02093100  0.16895200  0.86301000  1
  F  F151  1  0.96418400  0.59207100  0.21709200  1
  F  F152  1  0.62370800  0.71958000  0.85199000  1
  F  F153  1  0.13340100  0.91857700  0.89040500  1
  F  F154  1  0.37965800  0.51347600  0.06135700  1
  F  F155  1  0.52103000  0.12847500  0.26133600  1
  F  F156  1  0.87206200  0.27736800  0.15391900  1
  F  F157  1  0.72920600  0.32807900  0.63455000  1
  F  F158  1  0.36824700  0.98500700  0.43306900  1
  F  F159  1  0.12793800  0.72263200  0.84608100  1
  F  F160  1  0.22714100  0.13247100  0.25118700  1
  F  F161  1  0.27079400  0.67192100  0.36545000  1
  F  F162  1  0.37629200  0.28042000  0.14801000  1
  F  F163  1  0.36659900  0.41857700  0.39040500  1
  F  F164  1  0.62974800  0.28306600  0.08004600  1
  F  F165  1  0.53581600  0.09207100  0.71709200  1
  F  F166  1  0.97906900  0.83104800  0.13699000  1
  F  F167  1  0.12370800  0.78042000  0.64801000  1
  F  F168  1  0.12113400  0.57322400  0.60656400  1
  F  F169  1  0.87886600  0.42677600  0.39343600  1
  F  F170  1  0.12034200  0.01347600  0.56135700  1
  F  F171  1  0.12633200  0.10602400  0.71174600  1
  F  F172  1  0.97897000  0.62847500  0.76133600  1
  F  F173  1  0.13175300  0.48500700  0.93306900  1
  F  F174  1  0.46418400  0.90792900  0.28290800  1
  F  F175  1  0.97371700  0.91028500  0.73413500  1
  F  F176  1  0.27237700  0.81438100  0.12062400  1
  F  F177  1  0.47906900  0.66895200  0.36301000  1
  F  F178  1  0.22071700  0.41263700  0.22328000  1
  F  F179  1  0.62113400  0.92677600  0.89343600  1
