# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.90847705
_cell_length_b   17.71497391
_cell_length_c   20.75126644
_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   5457.76415404
_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  0.999977  0.999962  -0.000019  1
  Mg  Mg2  1  0.999172  0.999362  0.501219  1
  Mg  Mg3  1  0.833309  0.166633  0.999954  1
  Mg  Mg4  1  0.832380  0.167056  0.500492  1
  Mg  Mg5  1  0.666629  0.333306  0.999956  1
  Mg  Mg6  1  0.666611  0.333388  0.499936  1
  Mg  Mg7  1  0.499980  0.499968  -0.000020  1
  Mg  Mg8  1  0.499993  0.499976  0.499958  1
  Mg  Mg9  1  0.333321  0.666621  0.999954  1
  Mg  Mg10  1  0.333410  0.666614  0.499938  1
  Mg  Mg11  1  0.166651  0.833297  0.999953  1
  Mg  Mg12  1  0.166993  0.832436  0.500494  1
  Mg  Mg13  1  0.199987  0.999967  -0.000020  1
  Mg  Mg14  1  0.201262  0.999385  0.501222  1
  Mg  Mg15  1  0.033312  0.166640  -0.000018  1
  Mg  Mg16  1  0.032849  0.167791  0.501215  1
  Mg  Mg17  1  0.866615  0.333333  0.999884  1
  Mg  Mg18  1  0.866597  0.333338  0.500018  1
  Mg  Mg19  1  0.699973  0.499973  -0.000033  1
  Mg  Mg20  1  0.699983  0.499988  0.499970  1
  Mg  Mg21  1  0.533322  0.666629  -0.000030  1
  Mg  Mg22  1  0.533333  0.666639  0.499968  1
  Mg  Mg23  1  0.366688  0.833269  0.999885  1
  Mg  Mg24  1  0.366704  0.833265  0.500015  1
  Mg  Mg25  1  0.400024  0.999965  0.999886  1
  Mg  Mg26  1  0.400025  0.999966  0.500017  1
  Mg  Mg27  1  0.233319  0.166641  0.999955  1
  Mg  Mg28  1  0.233908  0.167078  0.500491  1
  Mg  Mg29  1  0.066652  0.333339  0.999887  1
  Mg  Mg30  1  0.066652  0.333340  0.500013  1
  Mg  Mg31  1  0.899974  0.499977  0.999963  1
  Mg  Mg32  1  0.900002  0.499848  0.499945  1
  Mg  Mg33  1  0.733315  0.666636  -0.000016  1
  Mg  Mg34  1  0.733317  0.666648  0.499944  1
  Mg  Mg35  1  0.566666  0.833293  -0.000029  1
  Mg  Mg36  1  0.566565  0.833356  0.499929  1
  Mg  Mg37  1  0.599981  -0.000032  -0.000026  1
  Mg  Mg38  1  0.599985  0.999964  0.499956  1
  Mg  Mg39  1  0.433326  0.166645  0.999962  1
  Mg  Mg40  1  0.433371  0.166596  0.499932  1
  Mg  Mg41  1  0.266662  0.333313  0.999960  1
  Mg  Mg42  1  0.266629  0.333410  0.499934  1
  Mg  Mg43  1  0.099985  0.499978  -0.000025  1
  Mg  Mg44  1  0.099965  0.499949  0.499959  1
  Mg  Mg45  1  0.933310  0.666622  -0.000023  1
  Mg  Mg46  1  0.933300  0.666577  0.499953  1
  Mg  Mg47  1  0.766639  0.833289  -0.000027  1
  Mg  Mg48  1  0.766694  0.833349  0.499928  1
  Mg  Mg49  1  0.799943  0.999959  0.999887  1
  Mg  Mg50  1  0.799945  0.999954  0.500016  1
  Mg  Mg51  1  0.633297  0.166642  0.999962  1
  Mg  Mg52  1  0.633294  0.166594  0.499932  1
  Mg  Mg53  1  0.466648  0.333303  -0.000006  1
  Mg  Mg54  1  0.466655  0.333285  0.499945  1
  Mg  Mg55  1  0.299983  0.499972  -0.000013  1
  Mg  Mg56  1  0.299978  0.500046  0.499951  1
  Mg  Mg57  1  0.133322  0.666622  0.999955  1
  Mg  Mg58  1  0.133252  0.666593  0.499943  1
  Mg  Mg59  1  0.966634  0.833262  0.999887  1
  Mg  Mg60  1  0.966627  0.833227  0.500011  1
  Mg  Mg61  1  0.077758  0.055522  0.874966  1
  Mg  Mg62  1  0.909270  0.223824  0.374966  1
  Mg  Mg63  1  0.911098  0.222182  0.874966  1
  Mg  Mg64  1  0.744202  0.389099  0.374966  1
  Mg  Mg65  1  0.744382  0.388874  0.874966  1
  Mg  Mg66  1  0.577770  0.555535  0.374966  1
  Mg  Mg67  1  0.577753  0.555522  0.874966  1
  Mg  Mg68  1  0.411339  0.721977  0.374966  1
  Mg  Mg69  1  0.411110  0.722153  0.874966  1
  Mg  Mg70  1  0.246047  0.887075  0.374966  1
  Mg  Mg71  1  0.244423  0.888863  0.874966  1
  Mg  Mg72  1  0.279723  0.055680  0.374966  1
  Mg  Mg73  1  0.277754  0.055524  0.874966  1
  Mg  Mg74  1  0.111595  0.223859  0.374966  1
  Mg  Mg75  1  0.111089  0.222187  0.874966  1
  Mg  Mg76  1  0.944432  0.388761  0.374966  1
  Mg  Mg77  1  0.944413  0.388882  0.874966  1
  Mg  Mg78  1  0.777763  0.555512  0.374966  1
  Mg  Mg79  1  0.777749  0.555530  0.874966  1
  Mg  Mg80  1  0.611081  0.722210  0.374966  1
  Mg  Mg81  1  0.611100  0.722183  0.874966  1
  Mg  Mg82  1  0.444370  0.888884  0.374966  1
  Mg  Mg83  1  0.444461  0.888842  0.874966  1
  Mg  Mg84  1  0.477936  0.055510  0.374966  1
  Mg  Mg85  1  0.477781  0.055548  0.874966  1
  Mg  Mg86  1  0.311170  0.222278  0.374966  1
  Mg  Mg87  1  0.311098  0.222198  0.874966  1
  Mg  Mg88  1  0.144472  0.389117  0.374966  1
  Mg  Mg89  1  0.144454  0.388878  0.874966  1
  Mg  Mg90  1  0.977729  0.555365  0.374966  1
  Mg  Mg91  1  0.977765  0.555519  0.874966  1
  Mg  Mg92  1  0.811100  0.722192  0.374966  1
  Mg  Mg93  1  0.811093  0.722180  0.874966  1
  Mg  Mg94  1  0.644422  0.888875  0.374966  1
  Mg  Mg95  1  0.644426  0.888860  0.874966  1
  Mg  Mg96  1  0.677602  0.055507  0.374966  1
  Mg  Mg97  1  0.677720  0.055545  0.874966  1
  Mg  Mg98  1  0.511102  0.222169  0.374966  1
  Mg  Mg99  1  0.511083  0.222218  0.874966  1
  Mg  Mg100  1  0.344425  0.388910  0.374966  1
  Mg  Mg101  1  0.344441  0.388864  0.874966  1
  Mg  Mg102  1  0.177758  0.555628  0.374966  1
  Mg  Mg103  1  0.177777  0.555510  0.874966  1
  Mg  Mg104  1  0.011014  0.721904  0.374966  1
  Mg  Mg105  1  0.011105  0.722146  0.874966  1
  Mg  Mg106  1  0.844464  0.888866  0.374966  1
  Mg  Mg107  1  0.844404  0.888837  0.874966  1
  Mg  Mg108  1  0.875689  0.055649  0.374966  1
  Mg  Mg109  1  0.877766  0.055518  0.874966  1
  Mg  Mg110  1  0.710966  0.222262  0.374966  1
  Mg  Mg111  1  0.711084  0.222192  0.874966  1
  Mg  Mg112  1  0.544416  0.388875  0.374966  1
  Mg  Mg113  1  0.544407  0.388865  0.874966  1
  Mg  Mg114  1  0.377794  0.555536  0.374966  1
  Mg  Mg115  1  0.377763  0.555508  0.874966  1
  Mg  Mg116  1  0.211155  0.722087  0.374966  1
  Mg  Mg117  1  0.211096  0.722184  0.874966  1
  Mg  Mg118  1  0.044236  0.887016  0.374966  1
  Mg  Mg119  1  0.044423  0.888858  0.874966  1
  Mg  Mg120  1  0.999172  0.999362  0.248713  1
  Mg  Mg121  1  0.999977  0.999962  0.749951  1
  Mg  Mg122  1  0.832380  0.167056  0.249440  1
  Mg  Mg123  1  0.833309  0.166633  0.749978  1
  Mg  Mg124  1  0.666611  0.333388  0.249996  1
  Mg  Mg125  1  0.666629  0.333306  0.749976  1
  Mg  Mg126  1  0.499993  0.499976  0.249974  1
  Mg  Mg127  1  0.499980  0.499968  0.749952  1
  Mg  Mg128  1  0.333410  0.666614  0.249994  1
  Mg  Mg129  1  0.333321  0.666621  0.749978  1
  Mg  Mg130  1  0.166993  0.832436  0.249438  1
  Mg  Mg131  1  0.166651  0.833297  0.749980  1
  Mg  Mg132  1  0.201262  0.999385  0.248711  1
  Mg  Mg133  1  0.199987  0.999967  0.749952  1
  Mg  Mg134  1  0.032849  0.167791  0.248717  1
  Mg  Mg135  1  0.033312  0.166640  0.749950  1
  Mg  Mg136  1  0.866597  0.333338  0.249915  1
  Mg  Mg137  1  0.866615  0.333333  0.750048  1
  Mg  Mg138  1  0.699983  0.499988  0.249962  1
  Mg  Mg139  1  0.699973  0.499973  0.749965  1
  Mg  Mg140  1  0.533333  0.666639  0.249964  1
  Mg  Mg141  1  0.533322  0.666629  0.749962  1
  Mg  Mg142  1  0.366704  0.833265  0.249918  1
  Mg  Mg143  1  0.366688  0.833269  0.750047  1
  Mg  Mg144  1  0.400025  0.999966  0.249915  1
  Mg  Mg145  1  0.400024  0.999965  0.750046  1
  Mg  Mg146  1  0.233908  0.167078  0.249441  1
  Mg  Mg147  1  0.233319  0.166641  0.749977  1
  Mg  Mg148  1  0.066652  0.333340  0.249919  1
  Mg  Mg149  1  0.066652  0.333339  0.750045  1
  Mg  Mg150  1  0.900002  0.499848  0.249987  1
  Mg  Mg151  1  0.899974  0.499977  0.749969  1
  Mg  Mg152  1  0.733317  0.666648  0.249988  1
  Mg  Mg153  1  0.733315  0.666636  0.749948  1
  Mg  Mg154  1  0.566565  0.833356  0.250003  1
  Mg  Mg155  1  0.566666  0.833293  0.749961  1
  Mg  Mg156  1  0.599985  0.999964  0.249976  1
  Mg  Mg157  1  0.599981  -0.000032  0.749958  1
  Mg  Mg158  1  0.433371  0.166596  0.250000  1
  Mg  Mg159  1  0.433326  0.166645  0.749970  1
  Mg  Mg160  1  0.266629  0.333410  0.249998  1
  Mg  Mg161  1  0.266662  0.333313  0.749972  1
  Mg  Mg162  1  0.099965  0.499949  0.249973  1
  Mg  Mg163  1  0.099985  0.499978  0.749957  1
  Mg  Mg164  1  0.933300  0.666577  0.249979  1
  Mg  Mg165  1  0.933310  0.666622  0.749955  1
  Mg  Mg166  1  0.766694  0.833349  0.250004  1
  Mg  Mg167  1  0.766639  0.833289  0.749959  1
  Mg  Mg168  1  0.799945  0.999954  0.249916  1
  Mg  Mg169  1  0.799943  0.999959  0.750046  1
  Mg  Mg170  1  0.633294  0.166594  0.250000  1
  Mg  Mg171  1  0.633297  0.166642  0.749970  1
  Mg  Mg172  1  0.466655  0.333285  0.249987  1
  Mg  Mg173  1  0.466648  0.333303  0.749938  1
  Mg  Mg174  1  0.299978  0.500046  0.249981  1
  Mg  Mg175  1  0.299983  0.499972  0.749945  1
  Mg  Mg176  1  0.133252  0.666593  0.249989  1
  Mg  Mg177  1  0.133322  0.666622  0.749977  1
  Mg  Mg178  1  0.966627  0.833227  0.249921  1
  Mg  Mg179  1  0.966634  0.833262  0.750045  1
  Mg  Mg180  1  0.955521  0.111080  0.124919  1
  Mg  Mg181  1  0.955521  0.111080  0.625013  1
  Mg  Mg182  1  0.788900  0.277796  0.124876  1
  Mg  Mg183  1  0.788900  0.277796  0.625056  1
  Mg  Mg184  1  0.622216  0.444403  0.124975  1
  Mg  Mg185  1  0.622216  0.444403  0.624957  1
  Mg  Mg186  1  0.455531  0.611091  0.124976  1
  Mg  Mg187  1  0.455531  0.611091  0.624956  1
  Mg  Mg188  1  0.288945  0.777769  0.124875  1
  Mg  Mg189  1  0.288945  0.777769  0.625057  1
  Mg  Mg190  1  0.122212  0.944396  0.124914  1
  Mg  Mg191  1  0.122212  0.944396  0.625018  1
  Mg  Mg192  1  0.155550  0.111091  0.124918  1
  Mg  Mg193  1  0.155550  0.111091  0.625014  1
  Mg  Mg194  1  0.988800  0.277919  0.124750  1
  Mg  Mg195  1  0.988800  0.277919  0.625182  1
  Mg  Mg196  1  0.822199  0.444412  0.124943  1
  Mg  Mg197  1  0.822199  0.444412  0.624989  1
  Mg  Mg198  1  0.655537  0.611080  0.124971  1
  Mg  Mg199  1  0.655537  0.611080  0.624961  1
  Mg  Mg200  1  0.488885  0.777747  0.124954  1
  Mg  Mg201  1  0.488885  0.777747  0.624979  1
  Mg  Mg202  1  0.322395  0.944326  0.124746  1
  Mg  Mg203  1  0.322395  0.944326  0.625187  1
  Mg  Mg204  1  0.355590  0.111005  0.124877  1
  Mg  Mg205  1  0.355590  0.111005  0.625055  1
  Mg  Mg206  1  0.188796  0.277812  0.124881  1
  Mg  Mg207  1  0.188796  0.277812  0.625051  1
  Mg  Mg208  1  0.022196  0.444424  0.124951  1
  Mg  Mg209  1  0.022196  0.444424  0.624981  1
  Mg  Mg210  1  0.855536  0.611053  0.124991  1
  Mg  Mg211  1  0.855536  0.611053  0.624941  1
  Mg  Mg212  1  0.688866  0.777755  0.125013  1
  Mg  Mg213  1  0.688866  0.777755  0.624920  1
  Mg  Mg214  1  0.522210  0.944407  0.124956  1
  Mg  Mg215  1  0.522210  0.944407  0.624976  1
  Mg  Mg216  1  0.555540  0.111071  0.124989  1
  Mg  Mg217  1  0.555540  0.111071  0.624943  1
  Mg  Mg218  1  0.388851  0.277724  0.124998  1
  Mg  Mg219  1  0.388851  0.277724  0.624934  1
  Mg  Mg220  1  0.222200  0.444424  0.124986  1
  Mg  Mg221  1  0.222200  0.444424  0.624946  1
  Mg  Mg222  1  0.055535  0.611095  0.124979  1
  Mg  Mg223  1  0.055535  0.611095  0.624954  1
  Mg  Mg224  1  0.888856  0.777729  0.124962  1
  Mg  Mg225  1  0.888856  0.777729  0.624970  1
  Mg  Mg226  1  0.722203  0.944403  0.124957  1
  Mg  Mg227  1  0.722203  0.944403  0.624976  1
  Mg  Mg228  1  0.755546  0.110997  0.124877  1
  Mg  Mg229  1  0.755546  0.110997  0.625055  1
  Mg  Mg230  1  0.588909  0.277720  0.124998  1
  Mg  Mg231  1  0.588909  0.277720  0.624934  1
  Mg  Mg232  1  0.422203  0.444410  0.124991  1
  Mg  Mg233  1  0.422203  0.444410  0.624942  1
  Mg  Mg234  1  0.255520  0.611133  0.124987  1
  Mg  Mg235  1  0.255520  0.611133  0.624945  1
  Mg  Mg236  1  0.088782  0.777767  0.124875  1
  Mg  Mg237  1  0.088782  0.777767  0.625057  1
  Mg  Mg238  1  0.922084  0.944313  0.124749  1
  Mg  Mg239  1  0.922084  0.944313  0.625184  1
