# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48259674
_cell_length_b   20.96154073
_cell_length_c   46.21221299
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.44681743
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg104
_cell_volume   5264.79633202
_cell_formula_units_Z   104
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  0.004897  0.958619  0.279072  1
  Mg  Mg2  1  0.747659  0.451198  0.294162  1
  Mg  Mg3  1  0.163199  0.326785  0.290054  1
  Mg  Mg4  1  0.912744  0.823158  0.306532  1
  Mg  Mg5  1  0.874858  0.201803  0.285770  1
  Mg  Mg6  1  0.622180  0.698927  0.302576  1
  Mg  Mg7  1  0.580991  0.079086  0.281989  1
  Mg  Mg8  1  0.331126  0.574971  0.298548  1
  Mg  Mg9  1  0.504619  0.946990  0.311854  1
  Mg  Mg10  1  0.250496  0.445059  0.329248  1
  Mg  Mg11  1  0.662079  0.320985  0.324856  1
  Mg  Mg12  1  0.408548  0.818657  0.341197  1
  Mg  Mg13  1  0.376406  0.197313  0.320939  1
  Mg  Mg14  1  0.125045  0.693441  0.337684  1
  Mg  Mg15  1  0.092690  0.073326  0.317177  1
  Mg  Mg16  1  0.839052  0.569274  0.333467  1
  Mg  Mg17  1  1.001973  0.942782  0.346474  1
  Mg  Mg18  1  0.753033  0.439486  0.363024  1
  Mg  Mg19  1  0.157765  0.315431  0.358796  1
  Mg  Mg20  1  0.907294  0.812421  0.375452  1
  Mg  Mg21  1  0.878233  0.191287  0.354681  1
  Mg  Mg22  1  0.627431  0.688326  0.371391  1
  Mg  Mg23  1  0.598922  0.066558  0.350192  1
  Mg  Mg24  1  0.348287  0.563748  0.367234  1
  Mg  Mg25  1  0.505232  0.936584  0.380224  1
  Mg  Mg26  1  0.255758  0.433809  0.397686  1
  Mg  Mg27  1  0.657173  0.309555  0.393401  1
  Mg  Mg28  1  0.407760  0.806539  0.410248  1
  Mg  Mg29  1  0.381173  0.185099  0.389195  1
  Mg  Mg30  1  0.130867  0.682308  0.406130  1
  Mg  Mg31  1  0.104642  0.060810  0.384939  1
  Mg  Mg32  1  0.854129  0.558114  0.401855  1
  Mg  Mg33  1  0.007881  0.930597  0.414985  1
  Mg  Mg34  1  0.758716  0.427970  0.432112  1
  Mg  Mg35  1  0.158363  0.303614  0.427842  1
  Mg  Mg36  1  0.909310  0.800652  0.444844  1
  Mg  Mg37  1  0.883654  0.179309  0.423628  1
  Mg  Mg38  1  0.633939  0.676493  0.440595  1
  Mg  Mg39  1  0.608820  0.054919  0.419256  1
  Mg  Mg40  1  0.358954  0.552249  0.436337  1
  Mg  Mg41  1  0.510622  0.924843  0.449439  1
  Mg  Mg42  1  0.261611  0.422058  0.466736  1
  Mg  Mg43  1  0.660435  0.297755  0.462469  1
  Mg  Mg44  1  0.411688  0.794831  0.479548  1
  Mg  Mg45  1  0.386456  0.173393  0.458221  1
  Mg  Mg46  1  0.137070  0.670611  0.475265  1
  Mg  Mg47  1  0.112197  0.049096  0.453933  1
  Mg  Mg48  1  0.862733  0.546375  0.470981  1
  Mg  Mg49  1  0.013394  0.918981  0.484108  1
  Mg  Mg50  1  0.764548  0.416184  0.501291  1
  Mg  Mg51  1  0.163065  0.291851  0.497027  1
  Mg  Mg52  1  0.914492  0.789012  0.514126  1
  Mg  Mg53  1  0.889184  0.167552  0.492777  1
  Mg  Mg54  1  0.640064  0.664780  0.509852  1
  Mg  Mg55  1  0.615167  0.043231  0.488468  1
  Mg  Mg56  1  0.366024  0.540479  0.505545  1
  Mg  Mg57  1  0.516219  0.913182  0.518676  1
  Mg  Mg58  1  0.267412  0.410294  0.535832  1
  Mg  Mg59  1  0.666189  0.285989  0.531596  1
  Mg  Mg60  1  0.417790  0.783173  0.548805  1
  Mg  Mg61  1  0.392061  0.161664  0.527324  1
  Mg  Mg62  1  0.143117  0.658895  0.544406  1
  Mg  Mg63  1  0.117662  0.037402  0.523052  1
  Mg  Mg64  1  0.868680  0.534640  0.540129  1
  Mg  Mg65  1  0.019143  0.907344  0.553358  1
  Mg  Mg66  1  0.770358  0.404434  0.570466  1
  Mg  Mg67  1  0.169835  0.280060  0.566219  1
  Mg  Mg68  1  0.921707  0.777357  0.583249  1
  Mg  Mg69  1  0.894901  0.155780  0.561959  1
  Mg  Mg70  1  0.645913  0.653100  0.579086  1
  Mg  Mg71  1  0.619724  0.031514  0.557712  1
  Mg  Mg72  1  0.370924  0.528701  0.574728  1
  Mg  Mg73  1  0.522216  0.901504  0.587935  1
  Mg  Mg74  1  0.273076  0.398558  0.604860  1
  Mg  Mg75  1  0.674397  0.274233  0.600677  1
  Mg  Mg76  1  0.426449  0.771530  0.618010  1
  Mg  Mg77  1  0.397850  0.149888  0.596408  1
  Mg  Mg78  1  0.149121  0.647061  0.613460  1
  Mg  Mg79  1  0.120828  0.025671  0.592182  1
  Mg  Mg80  1  0.871756  0.523021  0.609233  1
  Mg  Mg81  1  0.025630  0.895513  0.622691  1
  Mg  Mg82  1  0.776182  0.392578  0.639494  1
  Mg  Mg83  1  0.180553  0.268393  0.635293  1
  Mg  Mg84  1  0.933368  0.765126  0.651712  1
  Mg  Mg85  1  0.900650  0.144165  0.631050  1
  Mg  Mg86  1  0.650759  0.641760  0.648216  1
  Mg  Mg87  1  0.620634  0.019722  0.626920  1
  Mg  Mg88  1  0.371981  0.516742  0.643746  1
  Mg  Mg89  1  0.530789  0.889267  0.656946  1
  Mg  Mg90  1  0.278837  0.386896  0.673239  1
  Mg  Mg91  1  0.689895  0.262781  0.669149  1
  Mg  Mg92  1  0.436621  0.760663  0.686340  1
  Mg  Mg93  1  0.403654  0.138681  0.664815  1
  Mg  Mg94  1  0.155388  0.634891  0.681548  1
  Mg  Mg95  1  0.117596  0.014362  0.660626  1
  Mg  Mg96  1  0.867722  0.511192  0.677495  1
  Mg  Mg97  1  0.031339  0.885337  0.691636  1
  Mg  Mg98  1  0.781643  0.381348  0.708353  1
  Mg  Mg99  1  0.197251  0.256990  0.703985  1
  Mg  Mg100  1  0.938953  0.751027  0.718921  1
  Mg  Mg101  1  0.906916  0.132656  0.699893  1
  Mg  Mg102  1  0.655311  0.627922  0.716557  1
  Mg  Mg103  1  0.614826  0.008852  0.695661  1
  Mg  Mg104  1  0.363820  0.505024  0.712464  1
