# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.90735095
_cell_length_b   17.71371246
_cell_length_c   20.74725379
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.94827556
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg239
_cell_volume   5455.93399562
_cell_formula_units_Z   239
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
  Mg  Mg1  1  -0.000000  0.999993  0.000029  1
  Mg  Mg2  1  0.999597  0.999692  0.500593  1
  Mg  Mg3  1  0.833339  0.166654  0.000003  1
  Mg  Mg4  1  0.832787  0.166905  0.500301  1
  Mg  Mg5  1  0.666654  0.333330  0.999992  1
  Mg  Mg6  1  0.666618  0.333387  0.499996  1
  Mg  Mg7  1  0.499996  0.499995  0.000009  1
  Mg  Mg8  1  0.500004  0.500002  0.499996  1
  Mg  Mg9  1  0.333333  0.666653  0.999990  1
  Mg  Mg10  1  0.333391  0.666626  0.499997  1
  Mg  Mg11  1  0.166660  0.833333  0.000003  1
  Mg  Mg12  1  0.166863  0.832820  0.500302  1
  Mg  Mg13  1  0.199992  -0.000005  0.000029  1
  Mg  Mg14  1  0.200629  0.999704  0.500594  1
  Mg  Mg15  1  0.033332  0.166653  0.000030  1
  Mg  Mg16  1  0.033100  0.167226  0.500591  1
  Mg  Mg17  1  0.866662  0.333333  0.999975  1
  Mg  Mg18  1  0.866644  0.333317  0.500020  1
  Mg  Mg19  1  0.699996  0.499996  0.000004  1
  Mg  Mg20  1  0.700004  0.499998  0.499999  1
  Mg  Mg21  1  0.533333  0.666662  0.000006  1
  Mg  Mg22  1  0.533332  0.666673  0.499998  1
  Mg  Mg23  1  0.366675  0.833325  0.999976  1
  Mg  Mg24  1  0.366662  0.833320  0.500018  1
  Mg  Mg25  1  0.400008  0.999988  0.999977  1
  Mg  Mg26  1  0.399993  0.000011  0.500020  1
  Mg  Mg27  1  0.233324  0.166657  0.000004  1
  Mg  Mg28  1  0.233675  0.166915  0.500301  1
  Mg  Mg29  1  0.066658  0.333333  0.999977  1
  Mg  Mg30  1  0.066680  0.333312  0.500017  1
  Mg  Mg31  1  0.899994  0.499997  0.000005  1
  Mg  Mg32  1  0.900012  0.499921  0.499985  1
  Mg  Mg33  1  0.733330  0.666662  0.000015  1
  Mg  Mg34  1  0.733332  0.666671  0.499986  1
  Mg  Mg35  1  0.566671  0.833325  0.000010  1
  Mg  Mg36  1  0.566611  0.833366  0.499976  1
  Mg  Mg37  1  0.599998  0.999992  0.000007  1
  Mg  Mg38  1  0.599997  -0.000001  0.499990  1
  Mg  Mg39  1  0.433336  0.166666  0.999994  1
  Mg  Mg40  1  0.433376  0.166652  0.499994  1
  Mg  Mg41  1  0.266670  0.333332  0.999994  1
  Mg  Mg42  1  0.266668  0.333396  0.499995  1
  Mg  Mg43  1  0.099996  0.499993  0.000007  1
  Mg  Mg44  1  0.099987  0.499964  0.499994  1
  Mg  Mg45  1  0.933327  0.666657  0.000010  1
  Mg  Mg46  1  0.933326  0.666634  0.499990  1
  Mg  Mg47  1  0.766659  0.833322  0.000011  1
  Mg  Mg48  1  0.766692  0.833360  0.499975  1
  Mg  Mg49  1  0.799992  0.999985  0.999977  1
  Mg  Mg50  1  0.799991  0.000004  0.500019  1
  Mg  Mg51  1  0.633321  0.166664  0.999994  1
  Mg  Mg52  1  0.633294  0.166651  0.499994  1
  Mg  Mg53  1  0.466663  0.333330  0.000014  1
  Mg  Mg54  1  0.466666  0.333325  0.499989  1
  Mg  Mg55  1  0.299998  0.499993  0.000012  1
  Mg  Mg56  1  0.299996  0.500032  0.499993  1
  Mg  Mg57  1  0.133333  0.666650  0.999991  1
  Mg  Mg58  1  0.133304  0.666605  0.499999  1
  Mg  Mg59  1  0.966654  0.833320  0.999978  1
  Mg  Mg60  1  0.966674  0.833297  0.500016  1
  Mg  Mg61  1  0.077774  0.055547  0.875002  1
  Mg  Mg62  1  0.910149  0.223059  0.375002  1
  Mg  Mg63  1  0.911120  0.222207  0.875002  1
  Mg  Mg64  1  0.744359  0.388969  0.375002  1
  Mg  Mg65  1  0.744432  0.388887  0.875002  1
  Mg  Mg66  1  0.577781  0.555559  0.375002  1
  Mg  Mg67  1  0.577772  0.555550  0.875002  1
  Mg  Mg68  1  0.411192  0.722142  0.375002  1
  Mg  Mg69  1  0.411113  0.722208  0.875002  1
  Mg  Mg70  1  0.245272  0.887946  0.375002  1
  Mg  Mg71  1  0.244436  0.888892  0.875002  1
  Mg  Mg72  1  0.278796  0.055643  0.375002  1
  Mg  Mg73  1  0.277767  0.055544  0.875002  1
  Mg  Mg74  1  0.111385  0.223069  0.375002  1
  Mg  Mg75  1  0.111101  0.222207  0.875002  1
  Mg  Mg76  1  0.944456  0.388808  0.375002  1
  Mg  Mg77  1  0.944436  0.388894  0.875002  1
  Mg  Mg78  1  0.777782  0.555537  0.375002  1
  Mg  Mg79  1  0.777771  0.555554  0.875002  1
  Mg  Mg80  1  0.611093  0.722238  0.375002  1
  Mg  Mg81  1  0.611112  0.722215  0.875002  1
  Mg  Mg82  1  0.444386  0.888912  0.375002  1
  Mg  Mg83  1  0.444458  0.888876  0.875002  1
  Mg  Mg84  1  0.477829  0.055551  0.375002  1
  Mg  Mg85  1  0.477781  0.055555  0.875002  1
  Mg  Mg86  1  0.311141  0.222255  0.375002  1
  Mg  Mg87  1  0.311103  0.222213  0.875002  1
  Mg  Mg88  1  0.144464  0.388966  0.375002  1
  Mg  Mg89  1  0.144447  0.388885  0.875002  1
  Mg  Mg90  1  0.977764  0.555466  0.375002  1
  Mg  Mg91  1  0.977776  0.555549  0.875002  1
  Mg  Mg92  1  0.811116  0.722225  0.375002  1
  Mg  Mg93  1  0.811107  0.722213  0.875002  1
  Mg  Mg94  1  0.644435  0.888906  0.375002  1
  Mg  Mg95  1  0.644442  0.888882  0.875002  1
  Mg  Mg96  1  0.677725  0.055550  0.375002  1
  Mg  Mg97  1  0.677765  0.055554  0.875002  1
  Mg  Mg98  1  0.511114  0.222204  0.375002  1
  Mg  Mg99  1  0.511103  0.222230  0.875002  1
  Mg  Mg100  1  0.344439  0.388907  0.375002  1
  Mg  Mg101  1  0.344448  0.388884  0.875002  1
  Mg  Mg102  1  0.177769  0.555588  0.375002  1
  Mg  Mg103  1  0.177782  0.555538  0.875002  1
  Mg  Mg104  1  0.011082  0.722102  0.375002  1
  Mg  Mg105  1  0.011109  0.722204  0.875002  1
  Mg  Mg106  1  0.844476  0.888902  0.375002  1
  Mg  Mg107  1  0.844431  0.888874  0.875002  1
  Mg  Mg108  1  0.876687  0.055630  0.375002  1
  Mg  Mg109  1  0.877786  0.055542  0.875002  1
  Mg  Mg110  1  0.711053  0.222249  0.375002  1
  Mg  Mg111  1  0.711115  0.222213  0.875002  1
  Mg  Mg112  1  0.544439  0.388892  0.375002  1
  Mg  Mg113  1  0.544433  0.388887  0.875002  1
  Mg  Mg114  1  0.377790  0.555559  0.375002  1
  Mg  Mg115  1  0.377776  0.555541  0.875002  1
  Mg  Mg116  1  0.211133  0.722166  0.375002  1
  Mg  Mg117  1  0.211105  0.722220  0.875002  1
  Mg  Mg118  1  0.044357  0.887918  0.375002  1
  Mg  Mg119  1  0.044437  0.888890  0.875002  1
  Mg  Mg120  1  0.999597  0.999692  0.249411  1
  Mg  Mg121  1  -0.000000  0.999993  0.749975  1
  Mg  Mg122  1  0.832787  0.166905  0.249703  1
  Mg  Mg123  1  0.833339  0.166654  0.750001  1
  Mg  Mg124  1  0.666618  0.333387  0.250008  1
  Mg  Mg125  1  0.666654  0.333330  0.750012  1
  Mg  Mg126  1  0.500004  0.500002  0.250008  1
  Mg  Mg127  1  0.499996  0.499995  0.749995  1
  Mg  Mg128  1  0.333391  0.666626  0.250007  1
  Mg  Mg129  1  0.333333  0.666653  0.750014  1
  Mg  Mg130  1  0.166863  0.832820  0.249702  1
  Mg  Mg131  1  0.166660  0.833333  0.750001  1
  Mg  Mg132  1  0.200629  0.999704  0.249410  1
  Mg  Mg133  1  0.199992  -0.000005  0.749975  1
  Mg  Mg134  1  0.033100  0.167226  0.249413  1
  Mg  Mg135  1  0.033332  0.166653  0.749974  1
  Mg  Mg136  1  0.866644  0.333317  0.249984  1
  Mg  Mg137  1  0.866662  0.333333  0.750029  1
  Mg  Mg138  1  0.700004  0.499998  0.250005  1
  Mg  Mg139  1  0.699996  0.499996  0.750000  1
  Mg  Mg140  1  0.533332  0.666673  0.250006  1
  Mg  Mg141  1  0.533333  0.666662  0.749998  1
  Mg  Mg142  1  0.366662  0.833320  0.249986  1
  Mg  Mg143  1  0.366675  0.833325  0.750028  1
  Mg  Mg144  1  0.399993  0.000011  0.249984  1
  Mg  Mg145  1  0.400008  0.999988  0.750027  1
  Mg  Mg146  1  0.233675  0.166915  0.249703  1
  Mg  Mg147  1  0.233324  0.166657  0.750000  1
  Mg  Mg148  1  0.066680  0.333312  0.249987  1
  Mg  Mg149  1  0.066658  0.333333  0.750027  1
  Mg  Mg150  1  0.900012  0.499921  0.250019  1
  Mg  Mg151  1  0.899994  0.499997  0.749999  1
  Mg  Mg152  1  0.733332  0.666671  0.250018  1
  Mg  Mg153  1  0.733330  0.666662  0.749989  1
  Mg  Mg154  1  0.566611  0.833366  0.250028  1
  Mg  Mg155  1  0.566671  0.833325  0.749994  1
  Mg  Mg156  1  0.599997  -0.000001  0.250014  1
  Mg  Mg157  1  0.599998  0.999992  0.749997  1
  Mg  Mg158  1  0.433376  0.166652  0.250010  1
  Mg  Mg159  1  0.433336  0.166666  0.750010  1
  Mg  Mg160  1  0.266668  0.333396  0.250009  1
  Mg  Mg161  1  0.266670  0.333332  0.750010  1
  Mg  Mg162  1  0.099987  0.499964  0.250010  1
  Mg  Mg163  1  0.099996  0.499993  0.749997  1
  Mg  Mg164  1  0.933326  0.666634  0.250014  1
  Mg  Mg165  1  0.933327  0.666657  0.749994  1
  Mg  Mg166  1  0.766692  0.833360  0.250029  1
  Mg  Mg167  1  0.766659  0.833322  0.749993  1
  Mg  Mg168  1  0.799991  0.000004  0.249985  1
  Mg  Mg169  1  0.799992  0.999985  0.750027  1
  Mg  Mg170  1  0.633294  0.166651  0.250010  1
  Mg  Mg171  1  0.633321  0.166664  0.750010  1
  Mg  Mg172  1  0.466666  0.333325  0.250015  1
  Mg  Mg173  1  0.466663  0.333330  0.749990  1
  Mg  Mg174  1  0.299996  0.500032  0.250011  1
  Mg  Mg175  1  0.299998  0.499993  0.749992  1
  Mg  Mg176  1  0.133304  0.666605  0.250005  1
  Mg  Mg177  1  0.133333  0.666650  0.750013  1
  Mg  Mg178  1  0.966674  0.833297  0.249988  1
  Mg  Mg179  1  0.966654  0.833320  0.750026  1
  Mg  Mg180  1  0.955544  0.111103  0.125016  1
  Mg  Mg181  1  0.955544  0.111103  0.624988  1
  Mg  Mg182  1  0.788879  0.277809  0.124942  1
  Mg  Mg183  1  0.788879  0.277809  0.625062  1
  Mg  Mg184  1  0.622224  0.444437  0.125006  1
  Mg  Mg185  1  0.622224  0.444437  0.624998  1
  Mg  Mg186  1  0.455553  0.611111  0.125006  1
  Mg  Mg187  1  0.455553  0.611111  0.624998  1
  Mg  Mg188  1  0.288935  0.777763  0.124941  1
  Mg  Mg189  1  0.288935  0.777763  0.625063  1
  Mg  Mg190  1  0.122223  0.944427  0.125014  1
  Mg  Mg191  1  0.122223  0.944427  0.624990  1
  Mg  Mg192  1  0.155559  0.111109  0.125016  1
  Mg  Mg193  1  0.155559  0.111109  0.624988  1
  Mg  Mg194  1  0.988867  0.277812  0.124947  1
  Mg  Mg195  1  0.988867  0.277812  0.625057  1
  Mg  Mg196  1  0.822225  0.444428  0.124999  1
  Mg  Mg197  1  0.822225  0.444428  0.625005  1
  Mg  Mg198  1  0.655553  0.611106  0.125011  1
  Mg  Mg199  1  0.655553  0.611106  0.624993  1
  Mg  Mg200  1  0.488884  0.777782  0.125005  1
  Mg  Mg201  1  0.488884  0.777782  0.624999  1
  Mg  Mg202  1  0.322270  0.944417  0.124945  1
  Mg  Mg203  1  0.322270  0.944417  0.625059  1
  Mg  Mg204  1  0.355596  0.111075  0.124943  1
  Mg  Mg205  1  0.355596  0.111075  0.625061  1
  Mg  Mg206  1  0.188859  0.277817  0.124945  1
  Mg  Mg207  1  0.188859  0.277817  0.625059  1
  Mg  Mg208  1  0.022214  0.444428  0.125003  1
  Mg  Mg209  1  0.022214  0.444428  0.625001  1
  Mg  Mg210  1  0.855554  0.611092  0.125022  1
  Mg  Mg211  1  0.855554  0.611092  0.624982  1
  Mg  Mg212  1  0.688883  0.777780  0.125033  1
  Mg  Mg213  1  0.688883  0.777780  0.624971  1
  Mg  Mg214  1  0.522215  0.944440  0.125007  1
  Mg  Mg215  1  0.522215  0.944440  0.624997  1
  Mg  Mg216  1  0.555555  0.111099  0.125010  1
  Mg  Mg217  1  0.555555  0.111099  0.624994  1
  Mg  Mg218  1  0.388882  0.277766  0.125012  1
  Mg  Mg219  1  0.388882  0.277766  0.624992  1
  Mg  Mg220  1  0.222216  0.444446  0.125012  1
  Mg  Mg221  1  0.222216  0.444446  0.624992  1
  Mg  Mg222  1  0.055548  0.611101  0.125009  1
  Mg  Mg223  1  0.055548  0.611101  0.624995  1
  Mg  Mg224  1  0.888881  0.777770  0.125010  1
  Mg  Mg225  1  0.888881  0.777770  0.624994  1
  Mg  Mg226  1  0.722224  0.944436  0.125007  1
  Mg  Mg227  1  0.722224  0.944436  0.624997  1
  Mg  Mg228  1  0.755535  0.111070  0.124943  1
  Mg  Mg229  1  0.755535  0.111070  0.625061  1
  Mg  Mg230  1  0.588896  0.277763  0.125012  1
  Mg  Mg231  1  0.588896  0.277763  0.624992  1
  Mg  Mg232  1  0.422219  0.444439  0.125017  1
  Mg  Mg233  1  0.422219  0.444439  0.624987  1
  Mg  Mg234  1  0.255547  0.611123  0.125006  1
  Mg  Mg235  1  0.255547  0.611123  0.624998  1
  Mg  Mg236  1  0.088844  0.777757  0.124942  1
  Mg  Mg237  1  0.088844  0.777757  0.625062  1
  Mg  Mg238  1  0.922187  0.944408  0.124947  1
  Mg  Mg239  1  0.922187  0.944408  0.625057  1
