# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49230628
_cell_length_b   15.84511118
_cell_length_c   46.15619864
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.03375956
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg78
_cell_volume   3955.3628708
_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  0.403053  0.167829  0.284167  1
  Mg  Mg2  1  0.571690  0.494163  0.295106  1
  Mg  Mg3  1  0.736271  0.823122  0.305996  1
  Mg  Mg4  1  0.676175  0.006164  0.280147  1
  Mg  Mg5  1  0.848290  0.329257  0.289532  1
  Mg  Mg6  1  0.013327  0.658735  0.300711  1
  Mg  Mg7  1  0.906230  0.155587  0.319323  1
  Mg  Mg8  1  0.069667  0.484030  0.330254  1
  Mg  Mg9  1  0.237738  0.814947  0.340801  1
  Mg  Mg10  1  0.169648  0.987972  0.312583  1
  Mg  Mg11  1  0.339467  0.320291  0.324884  1
  Mg  Mg12  1  0.504419  0.648618  0.335825  1
  Mg  Mg13  1  0.403204  0.143514  0.352358  1
  Mg  Mg14  1  0.570573  0.474563  0.364110  1
  Mg  Mg15  1  0.735523  0.804172  0.375035  1
  Mg  Mg16  1  0.665326  0.979571  0.347349  1
  Mg  Mg17  1  0.828472  0.309328  0.358458  1
  Mg  Mg18  1  0.995414  0.639548  0.369564  1
  Mg  Mg19  1  0.901071  0.133780  0.387191  1
  Mg  Mg20  1  0.066939  0.463948  0.398645  1
  Mg  Mg21  1  0.231827  0.793724  0.409855  1
  Mg  Mg22  1  0.157403  0.968829  0.381105  1
  Mg  Mg23  1  0.322057  0.298633  0.392957  1
  Mg  Mg24  1  0.487892  0.628954  0.404319  1
  Mg  Mg25  1  0.396954  0.123288  0.421523  1
  Mg  Mg26  1  0.562469  0.453412  0.433068  1
  Mg  Mg27  1  0.727475  0.783269  0.444440  1
  Mg  Mg28  1  0.651373  0.958318  0.415902  1
  Mg  Mg29  1  0.816080  0.288413  0.427383  1
  Mg  Mg30  1  0.981593  0.618413  0.438754  1
  Mg  Mg31  1  0.892247  0.112940  0.456225  1
  Mg  Mg32  1  0.057596  0.442951  0.467692  1
  Mg  Mg33  1  0.222484  0.772793  0.479135  1
  Mg  Mg34  1  0.145838  0.948055  0.450373  1
  Mg  Mg35  1  0.310640  0.277888  0.461979  1
  Mg  Mg36  1  0.475978  0.607904  0.473412  1
  Mg  Mg37  1  0.387219  0.102483  0.490773  1
  Mg  Mg38  1  0.552523  0.432482  0.502237  1
  Mg  Mg39  1  0.717385  0.762388  0.513713  1
  Mg  Mg40  1  0.640494  0.937578  0.485060  1
  Mg  Mg41  1  0.805356  0.267484  0.496536  1
  Mg  Mg42  1  0.970660  0.597483  0.508000  1
  Mg  Mg43  1  0.881901  0.092062  0.525362  1
  Mg  Mg44  1  0.047239  0.422078  0.536794  1
  Mg  Mg45  1  0.212041  0.751911  0.548400  1
  Mg  Mg46  1  0.135394  0.927173  0.519638  1
  Mg  Mg47  1  0.300283  0.257015  0.531081  1
  Mg  Mg48  1  0.465632  0.587026  0.542548  1
  Mg  Mg49  1  0.376286  0.081553  0.560019  1
  Mg  Mg50  1  0.541798  0.411554  0.571390  1
  Mg  Mg51  1  0.706505  0.741648  0.582871  1
  Mg  Mg52  1  0.630404  0.916697  0.554333  1
  Mg  Mg53  1  0.795410  0.246554  0.565705  1
  Mg  Mg54  1  0.960925  0.576678  0.577250  1
  Mg  Mg55  1  0.869987  0.071012  0.594454  1
  Mg  Mg56  1  0.035822  0.401333  0.605816  1
  Mg  Mg57  1  0.200476  0.731137  0.617668  1
  Mg  Mg58  1  0.126051  0.906243  0.588918  1
  Mg  Mg59  1  0.290940  0.236018  0.600129  1
  Mg  Mg60  1  0.456808  0.566187  0.611582  1
  Mg  Mg61  1  0.362465  0.060418  0.629209  1
  Mg  Mg62  1  0.529407  0.390638  0.640315  1
  Mg  Mg63  1  0.692553  0.720395  0.651424  1
  Mg  Mg64  1  0.622355  0.895794  0.623738  1
  Mg  Mg65  1  0.787306  0.225403  0.634663  1
  Mg  Mg66  1  0.954674  0.556452  0.646415  1
  Mg  Mg67  1  0.853460  0.051348  0.662948  1
  Mg  Mg68  1  0.018412  0.379675  0.673889  1
  Mg  Mg69  1  0.188231  0.711995  0.686190  1
  Mg  Mg70  1  0.120141  0.885020  0.657972  1
  Mg  Mg71  1  0.288211  0.215936  0.668519  1
  Mg  Mg72  1  0.451649  0.544380  0.679450  1
  Mg  Mg73  1  0.344552  0.041231  0.698062  1
  Mg  Mg74  1  0.509588  0.370710  0.709241  1
  Mg  Mg75  1  0.681704  0.693802  0.718626  1
  Mg  Mg76  1  0.621608  0.876845  0.692777  1
  Mg  Mg77  1  0.786189  0.205803  0.703667  1
  Mg  Mg78  1  0.954825  0.532138  0.714606  1
