# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.45693170
_cell_length_b   15.84000464
_cell_length_c   47.54805293
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.00469390
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg162
_cell_volume   8545.04079747
_cell_formula_units_Z   162
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  0.311862  0.788154  0.289810  1
  Mg  Mg2  1  0.645195  0.454821  0.289810  1
  Mg  Mg3  1  0.580439  0.784139  0.304995  1
  Mg  Mg4  1  0.978528  0.121488  0.289810  1
  Mg  Mg5  1  0.913773  0.450805  0.304995  1
  Mg  Mg6  1  0.851696  0.775477  0.320351  1
  Mg  Mg7  1  0.247106  0.117472  0.304995  1
  Mg  Mg8  1  0.185029  0.442144  0.320351  1
  Mg  Mg9  1  0.518363  0.108810  0.320351  1
  Mg  Mg10  1  0.309017  0.608917  0.317728  1
  Mg  Mg11  1  0.642351  0.275584  0.317728  1
  Mg  Mg12  1  0.578406  0.603169  0.333159  1
  Mg  Mg13  1  0.975684  0.942250  0.317728  1
  Mg  Mg14  1  0.911739  0.269836  0.333159  1
  Mg  Mg15  1  0.038916  0.617762  0.302451  1
  Mg  Mg16  1  0.245072  0.936502  0.333159  1
  Mg  Mg17  1  0.372250  0.284429  0.302451  1
  Mg  Mg18  1  0.705583  0.951096  0.302451  1
  Mg  Mg19  1  0.123477  0.767486  0.336117  1
  Mg  Mg20  1  0.456810  0.434152  0.336117  1
  Mg  Mg21  1  0.393172  0.760623  0.352004  1
  Mg  Mg22  1  0.790144  0.100819  0.336117  1
  Mg  Mg23  1  0.726506  0.427290  0.352004  1
  Mg  Mg24  1  0.663401  0.754492  0.367552  1
  Mg  Mg25  1  0.059839  0.093956  0.352004  1
  Mg  Mg26  1  0.996734  0.421159  0.367552  1
  Mg  Mg27  1  0.330067  0.087825  0.367552  1
  Mg  Mg28  1  0.119292  0.588173  0.364719  1
  Mg  Mg29  1  0.452625  0.254839  0.364719  1
  Mg  Mg30  1  0.389869  0.581084  0.380534  1
  Mg  Mg31  1  0.785958  0.921506  0.364719  1
  Mg  Mg32  1  0.723202  0.247751  0.380534  1
  Mg  Mg33  1  0.848256  0.595846  0.348806  1
  Mg  Mg34  1  0.056535  0.914417  0.380534  1
  Mg  Mg35  1  0.181589  0.262512  0.348806  1
  Mg  Mg36  1  0.514922  0.929179  0.348806  1
  Mg  Mg37  1  0.934262  0.746634  0.383219  1
  Mg  Mg38  1  0.267596  0.413301  0.383219  1
  Mg  Mg39  1  0.204858  0.739459  0.399240  1
  Mg  Mg40  1  0.600929  0.079968  0.383219  1
  Mg  Mg41  1  0.538192  0.406126  0.399240  1
  Mg  Mg42  1  0.475504  0.732539  0.415246  1
  Mg  Mg43  1  0.871525  0.072793  0.399240  1
  Mg  Mg44  1  0.808838  0.399205  0.415246  1
  Mg  Mg45  1  0.142171  0.065872  0.415246  1
  Mg  Mg46  1  0.930436  0.567306  0.412287  1
  Mg  Mg47  1  0.263769  0.233972  0.412287  1
  Mg  Mg48  1  0.201407  0.559896  0.428310  1
  Mg  Mg49  1  0.597103  0.900639  0.412287  1
  Mg  Mg50  1  0.534740  0.226563  0.428310  1
  Mg  Mg51  1  0.659966  0.574408  0.396355  1
  Mg  Mg52  1  0.868074  0.893230  0.428310  1
  Mg  Mg53  1  0.993300  0.241075  0.396355  1
  Mg  Mg54  1  0.326633  0.907741  0.396355  1
  Mg  Mg55  1  0.746085  0.725528  0.431054  1
  Mg  Mg56  1  0.079418  0.392194  0.431054  1
  Mg  Mg57  1  0.016741  0.718295  0.446980  1
  Mg  Mg58  1  0.412751  0.058861  0.431054  1
  Mg  Mg59  1  0.350074  0.384962  0.446980  1
  Mg  Mg60  1  0.287406  0.711195  0.462976  1
  Mg  Mg61  1  0.683408  0.051629  0.446980  1
  Mg  Mg62  1  0.620739  0.377862  0.462976  1
  Mg  Mg63  1  0.954073  0.044529  0.462976  1
  Mg  Mg64  1  0.742461  0.545866  0.460163  1
  Mg  Mg65  1  0.075795  0.212533  0.460163  1
  Mg  Mg66  1  0.013053  0.538761  0.476102  1
  Mg  Mg67  1  0.409128  0.879199  0.460163  1
  Mg  Mg68  1  0.346387  0.205428  0.476102  1
  Mg  Mg69  1  0.472001  0.552825  0.444255  1
  Mg  Mg70  1  0.679720  0.872094  0.476102  1
  Mg  Mg71  1  0.805334  0.219491  0.444255  1
  Mg  Mg72  1  0.138667  0.886158  0.444255  1
  Mg  Mg73  1  0.558030  0.704161  0.478926  1
  Mg  Mg74  1  0.891364  0.370828  0.478926  1
  Mg  Mg75  1  0.828559  0.697126  0.494821  1
  Mg  Mg76  1  0.224697  0.037495  0.478926  1
  Mg  Mg77  1  0.161893  0.363792  0.494821  1
  Mg  Mg78  1  0.099139  0.690036  0.510764  1
  Mg  Mg79  1  0.495226  0.030459  0.494821  1
  Mg  Mg80  1  0.432473  0.356703  0.510764  1
  Mg  Mg81  1  0.765806  0.023369  0.510764  1
  Mg  Mg82  1  0.554314  0.524548  0.508037  1
  Mg  Mg83  1  0.887647  0.191214  0.508037  1
  Mg  Mg84  1  0.824843  0.517512  0.523931  1
  Mg  Mg85  1  0.220981  0.857881  0.508037  1
  Mg  Mg86  1  0.158176  0.184179  0.523931  1
  Mg  Mg87  1  0.283734  0.531638  0.492093  1
  Mg  Mg88  1  0.491510  0.850845  0.523931  1
  Mg  Mg89  1  0.617067  0.198304  0.492093  1
  Mg  Mg90  1  0.950401  0.864971  0.492093  1
  Mg  Mg91  1  0.369820  0.682912  0.526755  1
  Mg  Mg92  1  0.703154  0.349579  0.526755  1
  Mg  Mg93  1  0.640412  0.675807  0.542695  1
  Mg  Mg94  1  0.036487  0.016246  0.526755  1
  Mg  Mg95  1  0.973745  0.342474  0.542695  1
  Mg  Mg96  1  0.910873  0.668849  0.558603  1
  Mg  Mg97  1  0.307079  0.009141  0.542695  1
  Mg  Mg98  1  0.244206  0.335516  0.558603  1
  Mg  Mg99  1  0.577539  0.002182  0.558603  1
  Mg  Mg100  1  0.366133  0.503378  0.555877  1
  Mg  Mg101  1  0.699466  0.170045  0.555877  1
  Mg  Mg102  1  0.636789  0.496146  0.571804  1
  Mg  Mg103  1  0.032799  0.836711  0.555877  1
  Mg  Mg104  1  0.970122  0.162812  0.571804  1
  Mg  Mg105  1  0.095468  0.510478  0.539881  1
  Mg  Mg106  1  0.303455  0.829479  0.571804  1
  Mg  Mg107  1  0.428801  0.177145  0.539881  1
  Mg  Mg108  1  0.762134  0.843812  0.539881  1
  Mg  Mg109  1  0.181466  0.661777  0.574547  1
  Mg  Mg110  1  0.514800  0.328444  0.574547  1
  Mg  Mg111  1  0.452437  0.654368  0.590570  1
  Mg  Mg112  1  0.848133  0.995111  0.574547  1
  Mg  Mg113  1  0.785771  0.321035  0.590570  1
  Mg  Mg114  1  0.722907  0.647266  0.606502  1
  Mg  Mg115  1  0.119104  0.987701  0.590570  1
  Mg  Mg116  1  0.056240  0.313932  0.606502  1
  Mg  Mg117  1  0.389574  0.980599  0.606502  1
  Mg  Mg118  1  0.178015  0.482214  0.603618  1
  Mg  Mg119  1  0.511348  0.148881  0.603618  1
  Mg  Mg120  1  0.448611  0.475039  0.619638  1
  Mg  Mg121  1  0.844682  0.815547  0.603618  1
  Mg  Mg122  1  0.781944  0.141706  0.619638  1
  Mg  Mg123  1  0.907369  0.489135  0.587611  1
  Mg  Mg124  1  0.115278  0.808373  0.619638  1
  Mg  Mg125  1  0.240703  0.155801  0.587611  1
  Mg  Mg126  1  0.574036  0.822468  0.587611  1
  Mg  Mg127  1  0.993005  0.640589  0.622323  1
  Mg  Mg128  1  0.326338  0.307256  0.622323  1
  Mg  Mg129  1  0.263582  0.633501  0.638138  1
  Mg  Mg130  1  0.659671  0.973923  0.622323  1
  Mg  Mg131  1  0.596915  0.300168  0.638138  1
  Mg  Mg132  1  0.534618  0.625828  0.654051  1
  Mg  Mg133  1  0.930248  0.966834  0.638138  1
  Mg  Mg134  1  0.867951  0.292495  0.654051  1
  Mg  Mg135  1  0.201284  0.959161  0.654051  1
  Mg  Mg136  1  0.989701  0.461050  0.650853  1
  Mg  Mg137  1  0.323034  0.127717  0.650853  1
  Mg  Mg138  1  0.259397  0.454188  0.666740  1
  Mg  Mg139  1  0.656368  0.794384  0.650853  1
  Mg  Mg140  1  0.592730  0.120854  0.666740  1
  Mg  Mg141  1  0.719473  0.467182  0.635305  1
  Mg  Mg142  1  0.926063  0.787521  0.666740  1
  Mg  Mg143  1  0.052806  0.133848  0.635305  1
  Mg  Mg144  1  0.386139  0.800515  0.635305  1
  Mg  Mg145  1  0.804468  0.618504  0.669698  1
  Mg  Mg146  1  0.137801  0.285171  0.669698  1
  Mg  Mg147  1  0.073856  0.612757  0.685130  1
  Mg  Mg148  1  0.471135  0.951838  0.669698  1
  Mg  Mg149  1  0.407189  0.279423  0.685130  1
  Mg  Mg150  1  0.343957  0.603911  0.700406  1
  Mg  Mg151  1  0.740523  0.946090  0.685130  1
  Mg  Mg152  1  0.677291  0.270578  0.700406  1
  Mg  Mg153  1  0.010624  0.937244  0.700406  1
  Mg  Mg154  1  0.802434  0.437535  0.697862  1
  Mg  Mg155  1  0.135767  0.104201  0.697862  1
  Mg  Mg156  1  0.071012  0.433519  0.713048  1
  Mg  Mg157  1  0.469101  0.770868  0.697862  1
  Mg  Mg158  1  0.404345  0.100186  0.713048  1
  Mg  Mg159  1  0.531177  0.446197  0.682506  1
  Mg  Mg160  1  0.737679  0.766852  0.713048  1
  Mg  Mg161  1  0.864511  0.112863  0.682506  1
  Mg  Mg162  1  0.197844  0.779530  0.682506  1
