# generated using pymatgen
data_Li3MgZn5(BH4)15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.75570815
_cell_length_b   15.50922903
_cell_length_c   15.50922903
_cell_angle_alpha   117.36057947
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3MgZn5(BH4)15
_chemical_formula_sum   'Li6 Mg2 Zn10 B30 H120'
_cell_volume   1870.46297738
_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  0.25000000  0.99321384  0.38694552  1
  Li  Li1  1  0.75000000  0.61305448  0.00678616  1
  Li  Li2  1  0.75000000  0.00678616  0.61305448  1
  Li  Li3  1  0.25000000  0.38694552  0.99321384  1
  Li  Li4  1  0.25000000  0.00301792  0.00301792  1
  Li  Li5  1  0.75000000  0.99698208  0.99698208  1
  Mg  Mg6  1  0.75000000  0.39132373  0.39132373  1
  Mg  Mg7  1  0.25000000  0.60867627  0.60867627  1
  Zn  Zn8  1  0.75000000  0.33603861  0.66906211  1
  Zn  Zn9  1  0.25000000  0.33093789  0.66396139  1
  Zn  Zn10  1  0.25000000  0.66396139  0.33093789  1
  Zn  Zn11  1  0.75000000  0.66906211  0.33603861  1
  Zn  Zn12  1  0.25000000  0.28346476  0.28346476  1
  Zn  Zn13  1  0.75000000  0.71653524  0.71653524  1
  Zn  Zn14  1  0.75000000  0.99708372  0.28898750  1
  Zn  Zn15  1  0.25000000  0.71101250  0.00291628  1
  Zn  Zn16  1  0.25000000  0.00291628  0.71101250  1
  Zn  Zn17  1  0.75000000  0.28898750  0.99708372  1
  B  B18  1  0.25000000  0.14912159  0.14912159  1
  B  B19  1  0.75000000  0.85087841  0.85087841  1
  B  B20  1  0.02119069  0.34521237  0.34521237  1
  B  B21  1  0.97880931  0.65478763  0.65478763  1
  B  B22  1  0.47880931  0.34521237  0.34521237  1
  B  B23  1  0.52119069  0.65478763  0.65478763  1
  B  B24  1  0.75000000  0.18566534  0.64596206  1
  B  B25  1  0.25000000  0.35403794  0.81433466  1
  B  B26  1  0.25000000  0.81433466  0.35403794  1
  B  B27  1  0.75000000  0.64596206  0.18566534  1
  B  B28  1  0.75000000  0.47148150  0.80591111  1
  B  B29  1  0.25000000  0.19408889  0.52851850  1
  B  B30  1  0.25000000  0.52851850  0.19408889  1
  B  B31  1  0.75000000  0.80591111  0.47148150  1
  B  B32  1  0.75000000  0.35716939  0.53026198  1
  B  B33  1  0.25000000  0.46973802  0.64283061  1
  B  B34  1  0.25000000  0.64283061  0.46973802  1
  B  B35  1  0.75000000  0.53026198  0.35716939  1
  B  B36  1  0.75000000  0.99707490  0.14559688  1
  B  B37  1  0.25000000  0.85440312  0.00292510  1
  B  B38  1  0.25000000  0.00292510  0.85440312  1
  B  B39  1  0.75000000  0.14559688  0.99707490  1
  B  B40  1  0.98010171  0.00057392  0.34767875  1
  B  B41  1  0.01989829  0.65232125  0.99942608  1
  B  B42  1  0.51989829  0.00057392  0.34767875  1
  B  B43  1  0.48010171  0.65232125  0.99942608  1
  B  B44  1  0.01989829  0.99942608  0.65232125  1
  B  B45  1  0.98010171  0.34767875  0.00057392  1
  B  B46  1  0.48010171  0.99942608  0.65232125  1
  B  B47  1  0.51989829  0.34767875  0.00057392  1
  H  H48  1  0.36894456  0.11075029  0.11075029  1
  H  H49  1  0.63105544  0.88924971  0.88924971  1
  H  H50  1  0.13105544  0.11075029  0.11075029  1
  H  H51  1  0.86894456  0.88924971  0.88924971  1
  H  H52  1  0.25000000  0.23059620  0.15006576  1
  H  H53  1  0.75000000  0.84993424  0.76940380  1
  H  H54  1  0.75000000  0.76940380  0.84993424  1
  H  H55  1  0.25000000  0.15006576  0.23059620  1
  H  H56  1  0.91358263  0.29637577  0.29637577  1
  H  H57  1  0.08641737  0.70362423  0.70362423  1
  H  H58  1  0.58641737  0.29637577  0.29637577  1
  H  H59  1  0.41358263  0.70362423  0.70362423  1
  H  H60  1  0.98950725  0.41897017  0.41897017  1
  H  H61  1  0.01049275  0.58102983  0.58102983  1
  H  H62  1  0.51049275  0.41897017  0.41897017  1
  H  H63  1  0.48950725  0.58102983  0.58102983  1
  H  H64  1  0.09208957  0.29367688  0.37363993  1
  H  H65  1  0.90791043  0.62636007  0.70632312  1
  H  H66  1  0.40791043  0.29367688  0.37363993  1
  H  H67  1  0.59208957  0.62636007  0.70632312  1
  H  H68  1  0.90791043  0.70632312  0.62636007  1
  H  H69  1  0.09208957  0.37363993  0.29367688  1
  H  H70  1  0.59208957  0.70632312  0.62636007  1
  H  H71  1  0.40791043  0.37363993  0.29367688  1
  H  H72  1  0.75000000  0.29142193  0.44667617  1
  H  H73  1  0.25000000  0.55332383  0.70857807  1
  H  H74  1  0.25000000  0.70857807  0.55332383  1
  H  H75  1  0.75000000  0.44667617  0.29142193  1
  H  H76  1  0.75000000  0.55232744  0.81249437  1
  H  H77  1  0.25000000  0.18750563  0.44767256  1
  H  H78  1  0.25000000  0.44767256  0.18750563  1
  H  H79  1  0.75000000  0.81249437  0.55232744  1
  H  H80  1  0.75000000  0.16696968  0.71369545  1
  H  H81  1  0.25000000  0.28630455  0.83303032  1
  H  H82  1  0.25000000  0.83303032  0.28630455  1
  H  H83  1  0.75000000  0.71369545  0.16696968  1
  H  H84  1  0.75000000  0.11860466  0.56459396  1
  H  H85  1  0.25000000  0.43540604  0.88139534  1
  H  H86  1  0.25000000  0.88139534  0.43540604  1
  H  H87  1  0.75000000  0.56459396  0.11860466  1
  H  H88  1  0.75000000  0.46393346  0.88025260  1
  H  H89  1  0.25000000  0.11974740  0.53606654  1
  H  H90  1  0.25000000  0.53606654  0.11974740  1
  H  H91  1  0.75000000  0.88025260  0.46393346  1
  H  H92  1  0.75000000  0.44035976  0.53948708  1
  H  H93  1  0.25000000  0.46051292  0.55964024  1
  H  H94  1  0.25000000  0.55964024  0.46051292  1
  H  H95  1  0.75000000  0.53948708  0.44035976  1
  H  H96  1  0.63010515  0.34809715  0.56698235  1
  H  H97  1  0.36989485  0.43301765  0.65190285  1
  H  H98  1  0.86989485  0.34809715  0.56698235  1
  H  H99  1  0.13010515  0.43301765  0.65190285  1
  H  H100  1  0.36989485  0.65190285  0.43301765  1
  H  H101  1  0.63010515  0.56698235  0.34809715  1
  H  H102  1  0.13010515  0.65190285  0.43301765  1
  H  H103  1  0.86989485  0.56698235  0.34809715  1
  H  H104  1  0.87092244  0.43139485  0.76133658  1
  H  H105  1  0.12907756  0.23866342  0.56860515  1
  H  H106  1  0.62907756  0.43139485  0.76133658  1
  H  H107  1  0.37092244  0.23866342  0.56860515  1
  H  H108  1  0.12907756  0.56860515  0.23866342  1
  H  H109  1  0.87092244  0.76133658  0.43139485  1
  H  H110  1  0.37092244  0.56860515  0.23866342  1
  H  H111  1  0.62907756  0.76133658  0.43139485  1
  H  H112  1  0.62888116  0.23242687  0.65359013  1
  H  H113  1  0.37111884  0.34640987  0.76757313  1
  H  H114  1  0.87111884  0.23242687  0.65359013  1
  H  H115  1  0.12888116  0.34640987  0.76757313  1
  H  H116  1  0.37111884  0.76757313  0.34640987  1
  H  H117  1  0.62888116  0.65359013  0.23242687  1
  H  H118  1  0.12888116  0.76757313  0.34640987  1
  H  H119  1  0.87111884  0.65359013  0.23242687  1
  H  H120  1  0.63145138  0.99647215  0.10447991  1
  H  H121  1  0.36854862  0.89552009  0.00352785  1
  H  H122  1  0.86854862  0.99647215  0.10447991  1
  H  H123  1  0.13145138  0.89552009  0.00352785  1
  H  H124  1  0.36854862  0.00352785  0.89552009  1
  H  H125  1  0.63145138  0.10447991  0.99647215  1
  H  H126  1  0.13145138  0.00352785  0.89552009  1
  H  H127  1  0.86854862  0.10447991  0.99647215  1
  H  H128  1  0.75000000  0.92080412  0.15384546  1
  H  H129  1  0.25000000  0.84615454  0.07919588  1
  H  H130  1  0.25000000  0.07919588  0.84615454  1
  H  H131  1  0.75000000  0.15384546  0.92080412  1
  H  H132  1  0.75000000  0.07416546  0.22311448  1
  H  H133  1  0.25000000  0.77688552  0.92583454  1
  H  H134  1  0.25000000  0.92583454  0.77688552  1
  H  H135  1  0.75000000  0.22311448  0.07416546  1
  H  H136  1  0.08251497  0.00142631  0.29524142  1
  H  H137  1  0.91748503  0.70475858  0.99857369  1
  H  H138  1  0.41748503  0.00142631  0.29524142  1
  H  H139  1  0.58251497  0.70475858  0.99857369  1
  H  H140  1  0.91748503  0.99857369  0.70475858  1
  H  H141  1  0.08251497  0.29524142  0.00142631  1
  H  H142  1  0.58251497  0.99857369  0.70475858  1
  H  H143  1  0.41748503  0.29524142  0.00142631  1
  H  H144  1  0.01606603  0.00047866  0.42319632  1
  H  H145  1  0.98393397  0.57680368  0.99952134  1
  H  H146  1  0.48393397  0.00047866  0.42319632  1
  H  H147  1  0.51606603  0.57680368  0.99952134  1
  H  H148  1  0.98393397  0.99952134  0.57680368  1
  H  H149  1  0.01606603  0.42319632  0.00047866  1
  H  H150  1  0.51606603  0.99952134  0.57680368  1
  H  H151  1  0.48393397  0.42319632  0.00047866  1
  H  H152  1  0.90350365  0.07651073  0.37285847  1
  H  H153  1  0.09649635  0.62714153  0.92348927  1
  H  H154  1  0.59649635  0.07651073  0.37285847  1
  H  H155  1  0.40350365  0.62714153  0.92348927  1
  H  H156  1  0.09649635  0.92348927  0.62714153  1
  H  H157  1  0.90350365  0.37285847  0.07651073  1
  H  H158  1  0.40350365  0.92348927  0.62714153  1
  H  H159  1  0.59649635  0.37285847  0.07651073  1
  H  H160  1  0.59336363  0.92318782  0.30196188  1
  H  H161  1  0.40663637  0.69803812  0.07681218  1
  H  H162  1  0.90663637  0.92318782  0.30196188  1
  H  H163  1  0.09336363  0.69803812  0.07681218  1
  H  H164  1  0.40663637  0.07681218  0.69803812  1
  H  H165  1  0.59336363  0.30196188  0.92318782  1
  H  H166  1  0.09336363  0.07681218  0.69803812  1
  H  H167  1  0.90663637  0.30196188  0.92318782  1
