# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50425573
_cell_length_b   15.88838445
_cell_length_c   46.24682368
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.97545170
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg78
_cell_volume   3983.31342725
_cell_formula_units_Z   78
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  0.418700  0.168219  0.283893  1
  Mg  Mg2  1  0.584152  0.497473  0.295079  1
  Mg  Mg3  1  0.742766  0.827191  0.305333  1
  Mg  Mg4  1  0.669663  0.005076  0.279413  1
  Mg  Mg5  1  0.837732  0.332601  0.289461  1
  Mg  Mg6  1  1.002181  0.662375  0.300654  1
  Mg  Mg7  1  0.913761  0.158038  0.317371  1
  Mg  Mg8  1  0.077425  0.487542  0.328473  1
  Mg  Mg9  1  0.240635  0.817551  0.339508  1
  Mg  Mg10  1  0.166100  0.991438  0.311122  1
  Mg  Mg11  1  0.334277  0.322813  0.322894  1
  Mg  Mg12  1  0.498514  0.652353  0.334096  1
  Mg  Mg13  1  0.408474  0.146727  0.351649  1
  Mg  Mg14  1  0.573461  0.477264  0.363122  1
  Mg  Mg15  1  0.737128  0.806797  0.374266  1
  Mg  Mg16  1  0.662740  0.982119  0.346272  1
  Mg  Mg17  1  0.827419  0.312245  0.357474  1
  Mg  Mg18  1  0.992801  0.642120  0.368740  1
  Mg  Mg19  1  0.903655  0.136898  0.386269  1
  Mg  Mg20  1  0.068416  0.466844  0.397596  1
  Mg  Mg21  1  0.232665  0.796695  0.408920  1
  Mg  Mg22  1  0.157073  0.971699  0.380349  1
  Mg  Mg23  1  0.322385  0.301753  0.391890  1
  Mg  Mg24  1  0.487415  0.631793  0.403275  1
  Mg  Mg25  1  0.398315  0.126418  0.420756  1
  Mg  Mg26  1  0.563077  0.456478  0.432200  1
  Mg  Mg27  1  0.727721  0.786313  0.443603  1
  Mg  Mg28  1  0.652128  0.961419  0.415038  1
  Mg  Mg29  1  0.817162  0.291523  0.426519  1
  Mg  Mg30  1  0.982165  0.621455  0.437889  1
  Mg  Mg31  1  0.892963  0.116173  0.455360  1
  Mg  Mg32  1  0.057826  0.446175  0.466778  1
  Mg  Mg33  1  0.222566  0.776062  0.478226  1
  Mg  Mg34  1  0.146958  0.951186  0.449538  1
  Mg  Mg35  1  0.311890  0.281146  0.461047  1
  Mg  Mg36  1  0.476871  0.611128  0.472472  1
  Mg  Mg37  1  0.387622  0.105847  0.489914  1
  Mg  Mg38  1  0.552523  0.435835  0.501342  1
  Mg  Mg39  1  0.717364  0.765784  0.512829  1
  Mg  Mg40  1  0.641799  0.940924  0.484156  1
  Mg  Mg41  1  0.806640  0.270873  0.495643  1
  Mg  Mg42  1  0.971542  0.600860  0.507071  1
  Mg  Mg43  1  0.882293  0.095580  0.524514  1
  Mg  Mg44  1  0.047273  0.425562  0.535939  1
  Mg  Mg45  1  0.212205  0.755522  0.547448  1
  Mg  Mg46  1  0.136597  0.930646  0.518760  1
  Mg  Mg47  1  0.301337  0.260532  0.530207  1
  Mg  Mg48  1  0.466200  0.590534  0.541626  1
  Mg  Mg49  1  0.376998  0.085252  0.559097  1
  Mg  Mg50  1  0.542001  0.415184  0.570467  1
  Mg  Mg51  1  0.707035  0.745289  0.581947  1
  Mg  Mg52  1  0.631442  0.920395  0.553383  1
  Mg  Mg53  1  0.796086  0.250230  0.564785  1
  Mg  Mg54  1  0.960848  0.580290  0.576229  1
  Mg  Mg55  1  0.871748  0.074914  0.593711  1
  Mg  Mg56  1  0.036778  0.404954  0.605095  1
  Mg  Mg57  1  0.202090  0.735009  0.616636  1
  Mg  Mg58  1  0.126498  0.910013  0.588066  1
  Mg  Mg59  1  0.290747  0.239864  0.599389  1
  Mg  Mg60  1  0.455509  0.569809  0.610717  1
  Mg  Mg61  1  0.366363  0.064588  0.628245  1
  Mg  Mg62  1  0.531744  0.394462  0.639511  1
  Mg  Mg63  1  0.696424  0.724589  0.650714  1
  Mg  Mg64  1  0.622035  0.899910  0.622719  1
  Mg  Mg65  1  0.785702  0.229443  0.633864  1
  Mg  Mg66  1  0.950689  0.559981  0.645337  1
  Mg  Mg67  1  0.860649  0.054355  0.662890  1
  Mg  Mg68  1  0.024887  0.383895  0.674092  1
  Mg  Mg69  1  0.193063  0.715270  0.685863  1
  Mg  Mg70  1  0.118528  0.889156  0.657478  1
  Mg  Mg71  1  0.281738  0.219166  0.668513  1
  Mg  Mg72  1  0.445402  0.548670  0.679614  1
  Mg  Mg73  1  0.356983  0.044332  0.696332  1
  Mg  Mg74  1  0.521431  0.374106  0.707525  1
  Mg  Mg75  1  0.689500  0.701631  0.717573  1
  Mg  Mg76  1  0.616397  0.879517  0.691653  1
  Mg  Mg77  1  0.775011  0.209234  0.701906  1
  Mg  Mg78  1  0.940463  0.538489  0.713093  1
