# generated using pymatgen
data_LiMoH6NO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17452100
_cell_length_b   11.23366300
_cell_length_c   14.20895300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMoH6NO5
_chemical_formula_sum   'Li8 Mo8 H48 N8 O40'
_cell_volume   1304.80551255
_cell_formula_units_Z   8
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  0.01580800  0.07331700  0.81953400  1
  Li  Li1  1  0.51580800  0.92668300  0.68046600  1
  Li  Li2  1  0.98419200  0.42668300  0.31953400  1
  Li  Li3  1  0.48419200  0.57331700  0.18046600  1
  Li  Li4  1  0.98419200  0.92668300  0.18046600  1
  Li  Li5  1  0.48419200  0.07331700  0.31953400  1
  Li  Li6  1  0.01580800  0.57331700  0.68046600  1
  Li  Li7  1  0.51580800  0.42668300  0.81953400  1
  Mo  Mo8  1  0.93209900  0.37542200  0.87006700  1
  Mo  Mo9  1  0.43209900  0.62457800  0.62993300  1
  Mo  Mo10  1  0.06790100  0.12457800  0.37006700  1
  Mo  Mo11  1  0.56790100  0.87542200  0.12993300  1
  Mo  Mo12  1  0.06790100  0.62457800  0.12993300  1
  Mo  Mo13  1  0.56790100  0.37542200  0.37006700  1
  Mo  Mo14  1  0.93209900  0.87542200  0.62993300  1
  Mo  Mo15  1  0.43209900  0.12457800  0.87006700  1
  H  H16  1  0.83917000  0.96626100  0.96390800  1
  H  H17  1  0.33917000  0.03373900  0.53609200  1
  H  H18  1  0.16083000  0.53373900  0.46390800  1
  H  H19  1  0.66083000  0.46626100  0.03609200  1
  H  H20  1  0.16083000  0.03373900  0.03609200  1
  H  H21  1  0.66083000  0.96626100  0.46390800  1
  H  H22  1  0.83917000  0.46626100  0.53609200  1
  H  H23  1  0.33917000  0.53373900  0.96390800  1
  H  H24  1  0.74549200  0.97487300  0.86905500  1
  H  H25  1  0.24549200  0.02512700  0.63094500  1
  H  H26  1  0.25450800  0.52512700  0.36905500  1
  H  H27  1  0.75450800  0.47487300  0.13094500  1
  H  H28  1  0.25450800  0.02512700  0.13094500  1
  H  H29  1  0.75450800  0.97487300  0.36905500  1
  H  H30  1  0.74549200  0.47487300  0.63094500  1
  H  H31  1  0.24549200  0.52512700  0.86905500  1
  H  H32  1  0.08510800  0.27223500  0.99943000  1
  H  H33  1  0.58510800  0.72776500  0.50057000  1
  H  H34  1  0.91489200  0.22776500  0.49943000  1
  H  H35  1  0.41489200  0.77223500  0.00057000  1
  H  H36  1  0.91489200  0.72776500  0.00057000  1
  H  H37  1  0.41489200  0.27223500  0.49943000  1
  H  H38  1  0.08510800  0.77223500  0.50057000  1
  H  H39  1  0.58510800  0.22776500  0.99943000  1
  H  H40  1  0.66356200  0.18546800  0.68767200  1
  H  H41  1  0.16356200  0.81453200  0.81232800  1
  H  H42  1  0.33643800  0.31453200  0.18767200  1
  H  H43  1  0.83643800  0.68546800  0.31232800  1
  H  H44  1  0.33643800  0.81453200  0.31232800  1
  H  H45  1  0.83643800  0.18546800  0.18767200  1
  H  H46  1  0.66356200  0.68546800  0.81232800  1
  H  H47  1  0.16356200  0.31453200  0.68767200  1
  H  H48  1  0.74038100  0.14062600  0.09359900  1
  H  H49  1  0.24038100  0.85937400  0.40640100  1
  H  H50  1  0.25961900  0.35937400  0.59359900  1
  H  H51  1  0.75961900  0.64062600  0.90640100  1
  H  H52  1  0.25961900  0.85937400  0.90640100  1
  H  H53  1  0.75961900  0.14062600  0.59359900  1
  H  H54  1  0.74038100  0.64062600  0.40640100  1
  H  H55  1  0.24038100  0.35937400  0.09359900  1
  H  H56  1  0.34403300  0.26311200  0.66404000  1
  H  H57  1  0.84403300  0.73688800  0.83596000  1
  H  H58  1  0.65596700  0.23688800  0.16404000  1
  H  H59  1  0.15596700  0.76311200  0.33596000  1
  H  H60  1  0.65596700  0.73688800  0.33596000  1
  H  H61  1  0.15596700  0.26311200  0.16404000  1
  H  H62  1  0.34403300  0.76311200  0.83596000  1
  H  H63  1  0.84403300  0.23688800  0.66404000  1
  N  N64  1  0.73530800  0.21443100  0.63324900  1
  N  N65  1  0.23530800  0.78556900  0.86675100  1
  N  N66  1  0.26469200  0.28556900  0.13324900  1
  N  N67  1  0.76469200  0.71443100  0.36675100  1
  N  N68  1  0.26469200  0.78556900  0.36675100  1
  N  N69  1  0.76469200  0.21443100  0.13324900  1
  N  N70  1  0.73530800  0.71443100  0.86675100  1
  N  N71  1  0.23530800  0.28556900  0.63324900  1
  O  O72  1  0.02950200  0.48949600  0.80391900  1
  O  O73  1  0.52950200  0.51050400  0.69608100  1
  O  O74  1  0.97049800  0.01050400  0.30391900  1
  O  O75  1  0.47049800  0.98949600  0.19608100  1
  O  O76  1  0.97049800  0.51050400  0.19608100  1
  O  O77  1  0.47049800  0.48949600  0.30391900  1
  O  O78  1  0.02950200  0.98949600  0.69608100  1
  O  O79  1  0.52950200  0.01050400  0.80391900  1
  O  O80  1  0.94662100  0.24157200  0.80734000  1
  O  O81  1  0.44662100  0.75842800  0.69266000  1
  O  O82  1  0.05337900  0.25842800  0.30734000  1
  O  O83  1  0.55337900  0.74157200  0.19266000  1
  O  O84  1  0.05337900  0.75842800  0.19266000  1
  O  O85  1  0.55337900  0.24157200  0.30734000  1
  O  O86  1  0.94662100  0.74157200  0.69266000  1
  O  O87  1  0.44662100  0.25842800  0.80734000  1
  O  O88  1  0.72244900  0.41034400  0.89284100  1
  O  O89  1  0.22244900  0.58965600  0.60715900  1
  O  O90  1  0.27755100  0.08965600  0.39284100  1
  O  O91  1  0.77755100  0.91034400  0.10715900  1
  O  O92  1  0.27755100  0.58965600  0.10715900  1
  O  O93  1  0.77755100  0.41034400  0.39284100  1
  O  O94  1  0.72244900  0.91034400  0.60715900  1
  O  O95  1  0.22244900  0.08965600  0.89284100  1
  O  O96  1  0.04484500  0.35252700  0.98539400  1
  O  O97  1  0.54484500  0.64747300  0.51460600  1
  O  O98  1  0.95515500  0.14747300  0.48539400  1
  O  O99  1  0.45515500  0.85252700  0.01460600  1
  O  O100  1  0.95515500  0.64747300  0.01460600  1
  O  O101  1  0.45515500  0.35252700  0.48539400  1
  O  O102  1  0.04484500  0.85252700  0.51460600  1
  O  O103  1  0.54484500  0.14747300  0.98539400  1
  O  O104  1  0.85140500  0.99281100  0.89903300  1
  O  O105  1  0.35140500  0.00718900  0.60096700  1
  O  O106  1  0.14859500  0.50718900  0.39903300  1
  O  O107  1  0.64859500  0.49281100  0.10096700  1
  O  O108  1  0.14859500  0.00718900  0.10096700  1
  O  O109  1  0.64859500  0.99281100  0.39903300  1
  O  O110  1  0.85140500  0.49281100  0.60096700  1
  O  O111  1  0.35140500  0.50718900  0.89903300  1
