# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.05408744
_cell_length_b   12.82343870
_cell_length_c   45.30941353
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg108
_cell_volume   5373.53726702
_cell_formula_units_Z   108
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  0.732462  0.254465  0.315309  1
  Mg  Mg2  1  0.239650  0.269903  0.318695  1
  Mg  Mg3  1  0.169929  0.634831  0.298232  1
  Mg  Mg4  1  0.601214  0.992795  0.286904  1
  Mg  Mg5  1  0.674050  0.633966  0.297972  1
  Mg  Mg6  1  0.797155  0.903346  0.330370  1
  Mg  Mg7  1  0.414532  0.133976  0.299136  1
  Mg  Mg8  1  0.929263  0.133727  0.298830  1
  Mg  Mg9  1  0.849656  0.488835  0.285081  1
  Mg  Mg10  1  0.987160  0.765885  0.316843  1
  Mg  Mg11  1  0.350598  0.492664  0.284720  1
  Mg  Mg12  1  0.482783  0.754782  0.315734  1
  Mg  Mg13  1  0.440832  0.178145  0.364492  1
  Mg  Mg14  1  0.946451  0.177368  0.364175  1
  Mg  Mg15  1  0.874804  0.539539  0.349494  1
  Mg  Mg16  1  0.315186  0.902238  0.329905  1
  Mg  Mg17  1  0.371828  0.533683  0.349753  1
  Mg  Mg18  1  0.509763  0.808430  0.381166  1
  Mg  Mg19  1  0.122288  0.033755  0.346204  1
  Mg  Mg20  1  0.624073  0.039953  0.351201  1
  Mg  Mg21  1  0.561418  0.404290  0.328674  1
  Mg  Mg22  1  0.693574  0.676326  0.363641  1
  Mg  Mg23  1  0.052995  0.404600  0.328788  1
  Mg  Mg24  1  0.193006  0.676663  0.363909  1
  Mg  Mg25  1  0.145996  0.080542  0.413924  1
  Mg  Mg26  1  0.647339  0.085832  0.416612  1
  Mg  Mg27  1  0.579682  0.448300  0.396728  1
  Mg  Mg28  1  0.010185  0.811183  0.382291  1
  Mg  Mg29  1  0.078498  0.448452  0.396885  1
  Mg  Mg30  1  0.215344  0.722031  0.431291  1
  Mg  Mg31  1  0.827367  0.949252  0.397245  1
  Mg  Mg32  1  0.331582  0.948361  0.396633  1
  Mg  Mg33  1  0.259521  0.310106  0.383204  1
  Mg  Mg34  1  0.396699  0.583637  0.415810  1
  Mg  Mg35  1  0.759750  0.309172  0.380804  1
  Mg  Mg36  1  0.896806  0.583445  0.415713  1
  Mg  Mg37  1  0.850706  0.994053  0.465082  1
  Mg  Mg38  1  0.352979  0.992711  0.464138  1
  Mg  Mg39  1  0.283530  0.357577  0.449185  1
  Mg  Mg40  1  0.716505  0.721436  0.430944  1
  Mg  Mg41  1  0.782811  0.354688  0.447931  1
  Mg  Mg42  1  0.920350  0.629793  0.482259  1
  Mg  Mg43  1  0.533422  0.855248  0.448126  1
  Mg  Mg44  1  0.032915  0.856978  0.448882  1
  Mg  Mg45  1  0.968272  0.221133  0.431295  1
  Mg  Mg46  1  0.101179  0.493739  0.464819  1
  Mg  Mg47  1  0.463481  0.222044  0.431686  1
  Mg  Mg48  1  0.602853  0.493723  0.464622  1
  Mg  Mg49  1  0.557103  0.901416  0.514989  1
  Mg  Mg50  1  0.055628  0.902807  0.515452  1
  Mg  Mg51  1  0.989134  0.265460  0.498484  1
  Mg  Mg52  1  0.419758  0.629594  0.482349  1
  Mg  Mg53  1  0.487469  0.267044  0.499036  1
  Mg  Mg54  1  0.624932  0.538573  0.532363  1
  Mg  Mg55  1  0.238194  0.766699  0.498829  1
  Mg  Mg56  1  0.738482  0.765599  0.498272  1
  Mg  Mg57  1  0.669390  0.130457  0.482873  1
  Mg  Mg58  1  0.806572  0.401562  0.514804  1
  Mg  Mg59  1  0.170330  0.128373  0.481257  1
  Mg  Mg60  1  0.306059  0.402858  0.515514  1
  Mg  Mg61  1  0.261086  0.812010  0.566469  1
  Mg  Mg62  1  0.760356  0.809432  0.565472  1
  Mg  Mg63  1  0.692042  0.176236  0.549399  1
  Mg  Mg64  1  0.124241  0.538742  0.532596  1
  Mg  Mg65  1  0.194133  0.174790  0.548431  1
  Mg  Mg66  1  0.328844  0.448705  0.581843  1
  Mg  Mg67  1  0.943881  0.675921  0.548943  1
  Mg  Mg68  1  0.442611  0.675808  0.549047  1
  Mg  Mg69  1  0.374952  0.037317  0.531277  1
  Mg  Mg70  1  0.510436  0.311755  0.566574  1
  Mg  Mg71  1  0.873954  0.039148  0.532890  1
  Mg  Mg72  1  0.011184  0.310098  0.565637  1
  Mg  Mg73  1  0.966693  0.721916  0.615727  1
  Mg  Mg74  1  0.466250  0.721917  0.615828  1
  Mg  Mg75  1  0.396230  0.080406  0.598173  1
  Mg  Mg76  1  0.830227  0.447888  0.581424  1
  Mg  Mg77  1  0.897698  0.085832  0.600847  1
  Mg  Mg78  1  0.032790  0.353755  0.632816  1
  Mg  Mg79  1  0.647316  0.583293  0.600212  1
  Mg  Mg80  1  0.147091  0.583751  0.600595  1
  Mg  Mg81  1  0.077125  0.948319  0.582043  1
  Mg  Mg82  1  0.218608  0.221876  0.615544  1
  Mg  Mg83  1  0.581570  0.947494  0.581713  1
  Mg  Mg84  1  0.714522  0.222807  0.616202  1
  Mg  Mg85  1  0.671439  0.631804  0.667931  1
  Mg  Mg86  1  0.166771  0.622800  0.668716  1
  Mg  Mg87  1  0.100518  0.995519  0.648329  1
  Mg  Mg88  1  0.533425  0.357047  0.634218  1
  Mg  Mg89  1  0.605930  0.994849  0.648051  1
  Mg  Mg90  1  0.729749  0.270113  0.682542  1
  Mg  Mg91  1  0.352274  0.494295  0.647907  1
  Mg  Mg92  1  0.852634  0.493807  0.647611  1
  Mg  Mg93  1  0.783652  0.855643  0.632351  1
  Mg  Mg94  1  0.919672  0.129167  0.669228  1
  Mg  Mg95  1  0.282885  0.855092  0.634536  1
  Mg  Mg96  1  0.418504  0.124516  0.664042  1
  Mg  Mg97  1  0.368950  0.540180  0.712567  1
  Mg  Mg98  1  0.881483  0.539163  0.712289  1
  Mg  Mg99  1  0.800437  0.889418  0.697915  1
  Mg  Mg100  1  0.250870  0.269027  0.682006  1
  Mg  Mg101  1  0.311003  0.911626  0.700684  1
  Mg  Mg102  1  0.440892  0.170264  0.728397  1
  Mg  Mg103  1  0.050186  0.388157  0.698358  1
  Mg  Mg104  1  0.557966  0.406393  0.699878  1
  Mg  Mg105  1  0.484983  0.772058  0.681171  1
  Mg  Mg106  1  0.635999  0.040339  0.713147  1
  Mg  Mg107  1  0.997859  0.771779  0.681080  1
  Mg  Mg108  1  0.115419  0.040823  0.713400  1
