# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39207038
_cell_length_b   15.85406330
_cell_length_c   49.25064842
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.17889673
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg126
_cell_volume   6547.98301593
_cell_formula_units_Z   126
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  0.486066  0.209850  0.334944  1
  Mg  Mg2  1  0.469347  0.884712  0.312987  1
  Mg  Mg3  1  0.440860  0.569711  0.293629  1
  Mg  Mg4  1  0.819399  0.876517  0.334944  1
  Mg  Mg5  1  0.802680  0.551379  0.312987  1
  Mg  Mg6  1  0.152733  0.543183  0.334944  1
  Mg  Mg7  1  0.774193  0.236378  0.293629  1
  Mg  Mg8  1  0.136014  0.218046  0.312987  1
  Mg  Mg9  1  0.107526  0.903044  0.293629  1
  Mg  Mg10  1  0.561919  0.388572  0.310159  1
  Mg  Mg11  1  0.535561  0.071492  0.291243  1
  Mg  Mg12  1  0.586847  0.708469  0.332083  1
  Mg  Mg13  1  0.895252  0.055239  0.310159  1
  Mg  Mg14  1  0.868894  0.738159  0.291243  1
  Mg  Mg15  1  0.228586  0.721905  0.310159  1
  Mg  Mg16  1  0.920181  0.375135  0.332083  1
  Mg  Mg17  1  0.202228  0.404825  0.291243  1
  Mg  Mg18  1  0.253514  0.041802  0.332083  1
  Mg  Mg19  1  0.552859  0.169334  0.396865  1
  Mg  Mg20  1  0.530066  0.849106  0.375756  1
  Mg  Mg21  1  0.508557  0.527620  0.354897  1
  Mg  Mg22  1  0.886192  0.836001  0.396865  1
  Mg  Mg23  1  0.863400  0.515773  0.375756  1
  Mg  Mg24  1  0.219526  0.502668  0.396865  1
  Mg  Mg25  1  0.841890  0.194287  0.354897  1
  Mg  Mg26  1  0.196733  0.182439  0.375756  1
  Mg  Mg27  1  0.175224  0.860954  0.354897  1
  Mg  Mg28  1  0.634062  0.351020  0.372725  1
  Mg  Mg29  1  0.609363  0.031225  0.352351  1
  Mg  Mg30  1  0.657383  0.670949  0.393680  1
  Mg  Mg31  1  0.967395  0.017687  0.372725  1
  Mg  Mg32  1  0.942697  0.697891  0.352351  1
  Mg  Mg33  1  0.300728  0.684353  0.372725  1
  Mg  Mg34  1  0.990717  0.337616  0.393680  1
  Mg  Mg35  1  0.276030  0.364558  0.352351  1
  Mg  Mg36  1  0.324050  0.004283  0.393680  1
  Mg  Mg37  1  0.620875  0.130062  0.459582  1
  Mg  Mg38  1  0.598065  0.809743  0.438576  1
  Mg  Mg39  1  0.575358  0.489496  0.417691  1
  Mg  Mg40  1  0.954208  0.796729  0.459582  1
  Mg  Mg41  1  0.931399  0.476410  0.438576  1
  Mg  Mg42  1  0.287541  0.463396  0.459582  1
  Mg  Mg43  1  0.908691  0.156163  0.417691  1
  Mg  Mg44  1  0.264732  0.143076  0.438576  1
  Mg  Mg45  1  0.242024  0.822830  0.417691  1
  Mg  Mg46  1  0.703810  0.311839  0.435345  1
  Mg  Mg47  1  0.680731  0.991525  0.414527  1
  Mg  Mg48  1  0.726876  0.632073  0.456291  1
  Mg  Mg49  1  0.037144  0.978506  0.435345  1
  Mg  Mg50  1  0.014064  0.658192  0.414527  1
  Mg  Mg51  1  0.370477  0.645173  0.435345  1
  Mg  Mg52  1  0.060209  0.298740  0.456291  1
  Mg  Mg53  1  0.347397  0.324858  0.414527  1
  Mg  Mg54  1  0.393542  0.965406  0.456291  1
  Mg  Mg55  1  0.689464  0.090950  0.522280  1
  Mg  Mg56  1  0.666535  0.770633  0.501373  1
  Mg  Mg57  1  0.643717  0.450334  0.480458  1
  Mg  Mg58  1  0.022797  0.757617  0.522280  1
  Mg  Mg59  1  0.999868  0.437299  0.501373  1
  Mg  Mg60  1  0.356131  0.424283  0.522280  1
  Mg  Mg61  1  0.977051  0.117001  0.480458  1
  Mg  Mg62  1  0.333201  0.103966  0.501373  1
  Mg  Mg63  1  0.310384  0.783667  0.480458  1
  Mg  Mg64  1  0.772729  0.272697  0.498075  1
  Mg  Mg65  1  0.749800  0.952379  0.477168  1
  Mg  Mg66  1  0.795546  0.592995  0.518990  1
  Mg  Mg67  1  0.106062  0.939363  0.498075  1
  Mg  Mg68  1  0.083133  0.619046  0.477168  1
  Mg  Mg69  1  0.439396  0.606030  0.498075  1
  Mg  Mg70  1  0.128880  0.259662  0.518990  1
  Mg  Mg71  1  0.416467  0.285713  0.477168  1
  Mg  Mg72  1  0.462213  0.926329  0.518990  1
  Mg  Mg73  1  0.758533  0.051804  0.584921  1
  Mg  Mg74  1  0.735453  0.731490  0.564103  1
  Mg  Mg75  1  0.712388  0.411256  0.543157  1
  Mg  Mg76  1  0.091866  0.718471  0.584921  1
  Mg  Mg77  1  0.068787  0.398157  0.564103  1
  Mg  Mg78  1  0.425200  0.385137  0.584921  1
  Mg  Mg79  1  0.045721  0.077923  0.543157  1
  Mg  Mg80  1  0.402120  0.064823  0.564103  1
  Mg  Mg81  1  0.379055  0.744590  0.543157  1
  Mg  Mg82  1  0.841199  0.233586  0.560872  1
  Mg  Mg83  1  0.818389  0.913267  0.539866  1
  Mg  Mg84  1  0.863906  0.553833  0.581757  1
  Mg  Mg85  1  0.174532  0.900253  0.560872  1
  Mg  Mg86  1  0.151723  0.579934  0.539866  1
  Mg  Mg87  1  0.507865  0.566919  0.560872  1
  Mg  Mg88  1  0.197239  0.220499  0.581757  1
  Mg  Mg89  1  0.485056  0.246600  0.539866  1
  Mg  Mg90  1  0.530573  0.887166  0.581757  1
  Mg  Mg91  1  0.829900  0.012105  0.647096  1
  Mg  Mg92  1  0.805202  0.692309  0.626723  1
  Mg  Mg93  1  0.781880  0.372380  0.605768  1
  Mg  Mg94  1  0.163234  0.678771  0.647096  1
  Mg  Mg95  1  0.138535  0.358976  0.626723  1
  Mg  Mg96  1  0.496567  0.345438  0.647096  1
  Mg  Mg97  1  0.115214  0.039046  0.605768  1
  Mg  Mg98  1  0.471869  0.025643  0.626723  1
  Mg  Mg99  1  0.448547  0.705713  0.605768  1
  Mg  Mg100  1  0.909197  0.194223  0.623692  1
  Mg  Mg101  1  0.886405  0.873995  0.602583  1
  Mg  Mg102  1  0.930707  0.515709  0.644551  1
  Mg  Mg103  1  0.242531  0.860890  0.623692  1
  Mg  Mg104  1  0.219738  0.540662  0.602583  1
  Mg  Mg105  1  0.575864  0.527557  0.623692  1
  Mg  Mg106  1  0.264040  0.182376  0.644551  1
  Mg  Mg107  1  0.553071  0.207328  0.602583  1
  Mg  Mg108  1  0.597373  0.849042  0.644551  1
  Mg  Mg109  1  0.903703  0.971837  0.708205  1
  Mg  Mg110  1  0.877345  0.654757  0.689289  1
  Mg  Mg111  1  0.852416  0.334861  0.667365  1
  Mg  Mg112  1  0.237036  0.638504  0.708205  1
  Mg  Mg113  1  0.210678  0.321424  0.689289  1
  Mg  Mg114  1  0.570369  0.305171  0.708205  1
  Mg  Mg115  1  0.185750  0.001527  0.667365  1
  Mg  Mg116  1  0.544011  0.988090  0.689289  1
  Mg  Mg117  1  0.519083  0.668194  0.667365  1
  Mg  Mg118  1  0.969917  0.158617  0.686461  1
  Mg  Mg119  1  0.953198  0.833479  0.664504  1
  Mg  Mg120  1  0.998404  0.473618  0.705819  1
  Mg  Mg121  1  0.303250  0.825284  0.686461  1
  Mg  Mg122  1  0.286531  0.500146  0.664504  1
  Mg  Mg123  1  0.636583  0.491950  0.686461  1
  Mg  Mg124  1  0.331737  0.140285  0.705819  1
  Mg  Mg125  1  0.619864  0.166812  0.664504  1
  Mg  Mg126  1  0.665071  0.806952  0.705819  1
