# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.00303928
_cell_length_b   31.69187823
_cell_length_c   45.74894108
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.98992749
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg312
_cell_volume   15711.1003436
_cell_formula_units_Z   312
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  0.043350  0.624077  0.292533  1
  Mg  Mg2  1  0.543350  0.624077  0.292533  1
  Mg  Mg3  1  0.459271  0.961415  0.281244  1
  Mg  Mg4  1  0.622001  0.288512  0.303952  1
  Mg  Mg5  1  0.959271  0.961415  0.281244  1
  Mg  Mg6  1  0.122001  0.288512  0.303952  1
  Mg  Mg7  1  0.335029  0.872117  0.309159  1
  Mg  Mg8  1  0.835029  0.872117  0.309159  1
  Mg  Mg9  1  0.748528  0.206367  0.298484  1
  Mg  Mg10  1  0.170360  0.542104  0.286945  1
  Mg  Mg11  1  0.248528  0.206367  0.298484  1
  Mg  Mg12  1  0.670360  0.542104  0.286945  1
  Mg  Mg13  1  0.126447  0.788513  0.303949  1
  Mg  Mg14  1  0.626447  0.788513  0.303949  1
  Mg  Mg15  1  0.540666  0.124076  0.292532  1
  Mg  Mg16  1  0.962106  0.461421  0.281240  1
  Mg  Mg17  1  0.040666  0.124076  0.292532  1
  Mg  Mg18  1  0.462106  0.461421  0.281240  1
  Mg  Mg19  1  0.417777  0.706373  0.298484  1
  Mg  Mg20  1  0.917777  0.706373  0.298484  1
  Mg  Mg21  1  0.831694  0.042105  0.286947  1
  Mg  Mg22  1  0.997026  0.372120  0.309160  1
  Mg  Mg23  1  0.331694  0.042105  0.286947  1
  Mg  Mg24  1  0.497026  0.372120  0.309160  1
  Mg  Mg25  1  0.790804  0.619168  0.326294  1
  Mg  Mg26  1  0.290804  0.619168  0.326294  1
  Mg  Mg27  1  0.206307  0.954148  0.314508  1
  Mg  Mg28  1  0.370548  0.283950  0.337543  1
  Mg  Mg29  1  0.706307  0.954148  0.314508  1
  Mg  Mg30  1  0.870548  0.283950  0.337543  1
  Mg  Mg31  1  0.081731  0.866535  0.342893  1
  Mg  Mg32  1  0.581731  0.866535  0.342893  1
  Mg  Mg33  1  0.496866  0.201353  0.332042  1
  Mg  Mg34  1  0.917177  0.536949  0.320660  1
  Mg  Mg35  1  0.996866  0.201353  0.332042  1
  Mg  Mg36  1  0.417177  0.536949  0.320660  1
  Mg  Mg37  1  0.873340  0.783951  0.337544  1
  Mg  Mg38  1  0.373340  0.783951  0.337544  1
  Mg  Mg39  1  0.288306  0.119166  0.326296  1
  Mg  Mg40  1  0.707795  0.454145  0.314505  1
  Mg  Mg41  1  0.788306  0.119166  0.326296  1
  Mg  Mg42  1  0.207795  0.454145  0.314505  1
  Mg  Mg43  1  0.164427  0.701355  0.332041  1
  Mg  Mg44  1  0.664427  0.701355  0.332041  1
  Mg  Mg45  1  0.579719  0.036948  0.320662  1
  Mg  Mg46  1  0.744743  0.366535  0.342894  1
  Mg  Mg47  1  0.079719  0.036948  0.320662  1
  Mg  Mg48  1  0.244743  0.366535  0.342894  1
  Mg  Mg49  1  0.538148  0.613951  0.360495  1
  Mg  Mg50  1  0.038148  0.613951  0.360495  1
  Mg  Mg51  1  0.953888  0.949127  0.348925  1
  Mg  Mg52  1  0.118301  0.278918  0.371827  1
  Mg  Mg53  1  0.453888  0.949127  0.348925  1
  Mg  Mg54  1  0.618301  0.278918  0.371827  1
  Mg  Mg55  1  0.828547  0.861363  0.377343  1
  Mg  Mg56  1  0.328547  0.861363  0.377343  1
  Mg  Mg57  1  0.244074  0.196437  0.366265  1
  Mg  Mg58  1  0.663870  0.531318  0.354600  1
  Mg  Mg59  1  0.744074  0.196437  0.366265  1
  Mg  Mg60  1  0.163870  0.531318  0.354600  1
  Mg  Mg61  1  0.620556  0.778918  0.371826  1
  Mg  Mg62  1  0.120556  0.778918  0.371826  1
  Mg  Mg63  1  0.035747  0.113951  0.360495  1
  Mg  Mg64  1  0.455190  0.449129  0.348923  1
  Mg  Mg65  1  0.535747  0.113951  0.360495  1
  Mg  Mg66  1  0.955190  0.449129  0.348923  1
  Mg  Mg67  1  0.912305  0.696438  0.366264  1
  Mg  Mg68  1  0.412305  0.696438  0.366264  1
  Mg  Mg69  1  0.327398  0.031318  0.354602  1
  Mg  Mg70  1  0.492756  0.361363  0.377343  1
  Mg  Mg71  1  0.827398  0.031318  0.354602  1
  Mg  Mg72  1  0.992756  0.361363  0.377343  1
  Mg  Mg73  1  0.285258  0.608744  0.394830  1
  Mg  Mg74  1  0.785258  0.608744  0.394830  1
  Mg  Mg75  1  0.701433  0.943759  0.383118  1
  Mg  Mg76  1  0.865998  0.273753  0.406259  1
  Mg  Mg77  1  0.201433  0.943759  0.383118  1
  Mg  Mg78  1  0.365998  0.273753  0.406259  1
  Mg  Mg79  1  0.575644  0.856193  0.411868  1
  Mg  Mg80  1  0.075644  0.856193  0.411868  1
  Mg  Mg81  1  0.991641  0.191290  0.400635  1
  Mg  Mg82  1  0.410869  0.526279  0.389083  1
  Mg  Mg83  1  0.491641  0.191290  0.400635  1
  Mg  Mg84  1  0.910869  0.526279  0.389083  1
  Mg  Mg85  1  0.367697  0.773753  0.406258  1
  Mg  Mg86  1  0.867697  0.773753  0.406258  1
  Mg  Mg87  1  0.783431  0.108744  0.394831  1
  Mg  Mg88  1  0.202274  0.443759  0.383117  1
  Mg  Mg89  1  0.283431  0.108744  0.394831  1
  Mg  Mg90  1  0.702274  0.443759  0.383117  1
  Mg  Mg91  1  0.659592  0.691290  0.400635  1
  Mg  Mg92  1  0.159592  0.691290  0.400635  1
  Mg  Mg93  1  0.075358  0.026278  0.389085  1
  Mg  Mg94  1  0.240492  0.356193  0.411868  1
  Mg  Mg95  1  0.575358  0.026278  0.389085  1
  Mg  Mg96  1  0.740492  0.356193  0.411868  1
  Mg  Mg97  1  0.032569  0.603577  0.429484  1
  Mg  Mg98  1  0.532569  0.603577  0.429484  1
  Mg  Mg99  1  0.449003  0.938594  0.417864  1
  Mg  Mg100  1  0.613601  0.268552  0.440951  1
  Mg  Mg101  1  0.949003  0.938594  0.417864  1
  Mg  Mg102  1  0.113601  0.268552  0.440951  1
  Mg  Mg103  1  0.322860  0.850997  0.446609  1
  Mg  Mg104  1  0.822860  0.850997  0.446609  1
  Mg  Mg105  1  0.739207  0.186055  0.435262  1
  Mg  Mg106  1  0.158133  0.521054  0.423649  1
  Mg  Mg107  1  0.239207  0.186055  0.435262  1
  Mg  Mg108  1  0.658133  0.521054  0.423649  1
  Mg  Mg109  1  0.114894  0.768552  0.440950  1
  Mg  Mg110  1  0.614894  0.768552  0.440950  1
  Mg  Mg111  1  0.530954  0.103577  0.429485  1
  Mg  Mg112  1  0.949538  0.438594  0.417863  1
  Mg  Mg113  1  0.030954  0.103577  0.429485  1
  Mg  Mg114  1  0.449538  0.438594  0.417863  1
  Mg  Mg115  1  0.406793  0.686055  0.435262  1
  Mg  Mg116  1  0.906793  0.686055  0.435262  1
  Mg  Mg117  1  0.822870  0.021054  0.423651  1
  Mg  Mg118  1  0.988080  0.350997  0.446609  1
  Mg  Mg119  1  0.322870  0.021054  0.423651  1
  Mg  Mg120  1  0.488080  0.350997  0.446609  1
  Mg  Mg121  1  0.779824  0.598393  0.464070  1
  Mg  Mg122  1  0.279824  0.598393  0.464070  1
  Mg  Mg123  1  0.196458  0.933428  0.452444  1
  Mg  Mg124  1  0.361109  0.263375  0.475560  1
  Mg  Mg125  1  0.696458  0.933428  0.452444  1
  Mg  Mg126  1  0.861109  0.263375  0.475560  1
  Mg  Mg127  1  0.070175  0.845848  0.481267  1
  Mg  Mg128  1  0.570175  0.845848  0.481267  1
  Mg  Mg129  1  0.486728  0.180897  0.469861  1
  Mg  Mg130  1  0.905435  0.515913  0.458295  1
  Mg  Mg131  1  0.986728  0.180897  0.469861  1
  Mg  Mg132  1  0.405435  0.515913  0.458295  1
  Mg  Mg133  1  0.862211  0.763375  0.475560  1
  Mg  Mg134  1  0.362211  0.763375  0.475560  1
  Mg  Mg135  1  0.278516  0.098393  0.464071  1
  Mg  Mg136  1  0.696918  0.433428  0.452443  1
  Mg  Mg137  1  0.778516  0.098393  0.464071  1
  Mg  Mg138  1  0.196918  0.433428  0.452443  1
  Mg  Mg139  1  0.154115  0.680897  0.469861  1
  Mg  Mg140  1  0.654115  0.680897  0.469861  1
  Mg  Mg141  1  0.570427  0.015913  0.458297  1
  Mg  Mg142  1  0.735618  0.345848  0.481267  1
  Mg  Mg143  1  0.070427  0.015913  0.458297  1
  Mg  Mg144  1  0.235618  0.345848  0.481267  1
  Mg  Mg145  1  0.527174  0.593237  0.498707  1
  Mg  Mg146  1  0.027174  0.593237  0.498707  1
  Mg  Mg147  1  0.943930  0.928287  0.487141  1
  Mg  Mg148  1  0.108605  0.258219  0.510222  1
  Mg  Mg149  1  0.443930  0.928287  0.487141  1
  Mg  Mg150  1  0.608605  0.258219  0.510222  1
  Mg  Mg151  1  0.817552  0.840691  0.515917  1
  Mg  Mg152  1  0.317552  0.840691  0.515917  1
  Mg  Mg153  1  0.234225  0.175721  0.504468  1
  Mg  Mg154  1  0.652798  0.510742  0.492900  1
  Mg  Mg155  1  0.734225  0.175721  0.504468  1
  Mg  Mg156  1  0.152798  0.510742  0.492900  1
  Mg  Mg157  1  0.609560  0.758219  0.510221  1
  Mg  Mg158  1  0.109560  0.758219  0.510221  1
  Mg  Mg159  1  0.026011  0.093237  0.498708  1
  Mg  Mg160  1  0.444305  0.428287  0.487140  1
  Mg  Mg161  1  0.526011  0.093237  0.498708  1
  Mg  Mg162  1  0.944305  0.428287  0.487140  1
  Mg  Mg163  1  0.901443  0.675721  0.504467  1
  Mg  Mg164  1  0.401443  0.675721  0.504467  1
  Mg  Mg165  1  0.317893  0.010742  0.492902  1
  Mg  Mg166  1  0.483084  0.340691  0.515918  1
  Mg  Mg167  1  0.817893  0.010742  0.492902  1
  Mg  Mg168  1  0.983084  0.340691  0.515918  1
  Mg  Mg169  1  0.274503  0.588071  0.533322  1
  Mg  Mg170  1  0.774503  0.588071  0.533322  1
  Mg  Mg171  1  0.691334  0.923122  0.521798  1
  Mg  Mg172  1  0.856023  0.253053  0.544843  1
  Mg  Mg173  1  0.191334  0.923122  0.521798  1
  Mg  Mg174  1  0.356023  0.253053  0.544843  1
  Mg  Mg175  1  0.564964  0.835538  0.550612  1
  Mg  Mg176  1  0.064964  0.835538  0.550612  1
  Mg  Mg177  1  0.981710  0.170573  0.539105  1
  Mg  Mg178  1  0.400184  0.505602  0.527562  1
  Mg  Mg179  1  0.481710  0.170573  0.539105  1
  Mg  Mg180  1  0.900184  0.505602  0.527562  1
  Mg  Mg181  1  0.356977  0.753053  0.544843  1
  Mg  Mg182  1  0.856977  0.753053  0.544843  1
  Mg  Mg183  1  0.773517  0.088071  0.533323  1
  Mg  Mg184  1  0.191737  0.423122  0.521798  1
  Mg  Mg185  1  0.273517  0.088071  0.533323  1
  Mg  Mg186  1  0.691737  0.423122  0.521798  1
  Mg  Mg187  1  0.648811  0.670573  0.539105  1
  Mg  Mg188  1  0.148811  0.670573  0.539105  1
  Mg  Mg189  1  0.065368  0.005603  0.527563  1
  Mg  Mg190  1  0.230520  0.335539  0.550612  1
  Mg  Mg191  1  0.565368  0.005603  0.527563  1
  Mg  Mg192  1  0.730520  0.335539  0.550612  1
  Mg  Mg193  1  0.021898  0.582908  0.567945  1
  Mg  Mg194  1  0.521898  0.582908  0.567945  1
  Mg  Mg195  1  0.438762  0.917988  0.556451  1
  Mg  Mg196  1  0.603458  0.247912  0.579500  1
  Mg  Mg197  1  0.938762  0.917988  0.556451  1
  Mg  Mg198  1  0.103458  0.247912  0.579500  1
  Mg  Mg199  1  0.312430  0.830380  0.585165  1
  Mg  Mg200  1  0.812430  0.830380  0.585165  1
  Mg  Mg201  1  0.729147  0.165390  0.573672  1
  Mg  Mg202  1  0.147620  0.500421  0.562154  1
  Mg  Mg203  1  0.229147  0.165390  0.573672  1
  Mg  Mg204  1  0.647620  0.500421  0.562154  1
  Mg  Mg205  1  0.104402  0.747912  0.579500  1
  Mg  Mg206  1  0.604402  0.747912  0.579500  1
  Mg  Mg207  1  0.520960  0.082908  0.567946  1
  Mg  Mg208  1  0.939175  0.417988  0.556450  1
  Mg  Mg209  1  0.020960  0.082908  0.567946  1
  Mg  Mg210  1  0.439175  0.417988  0.556450  1
  Mg  Mg211  1  0.396193  0.665390  0.573672  1
  Mg  Mg212  1  0.896193  0.665390  0.573672  1
  Mg  Mg213  1  0.812751  1.000421  0.562156  1
  Mg  Mg214  1  0.977895  0.330380  0.585166  1
  Mg  Mg215  1  0.312751  1.000421  0.562156  1
  Mg  Mg216  1  0.477895  0.330380  0.585166  1
  Mg  Mg217  1  0.769232  0.577717  0.602577  1
  Mg  Mg218  1  0.269232  0.577717  0.602577  1
  Mg  Mg219  1  0.186071  0.912770  0.591190  1
  Mg  Mg220  1  0.350746  0.242692  0.614101  1
  Mg  Mg221  1  0.686071  0.912770  0.591190  1
  Mg  Mg222  1  0.850746  0.242692  0.614101  1
  Mg  Mg223  1  0.059891  0.825227  0.619913  1
  Mg  Mg224  1  0.559891  0.825227  0.619913  1
  Mg  Mg225  1  0.476647  0.160258  0.608350  1
  Mg  Mg226  1  0.895026  0.495234  0.596848  1
  Mg  Mg227  1  0.976647  0.160258  0.608350  1
  Mg  Mg228  1  0.395026  0.495234  0.596848  1
  Mg  Mg229  1  0.851893  0.742691  0.614100  1
  Mg  Mg230  1  0.351893  0.742691  0.614100  1
  Mg  Mg231  1  0.268437  0.077717  0.602577  1
  Mg  Mg232  1  0.686649  0.412770  0.591189  1
  Mg  Mg233  1  0.768437  0.077717  0.602577  1
  Mg  Mg234  1  0.186649  0.412770  0.591189  1
  Mg  Mg235  1  0.143560  0.660257  0.608350  1
  Mg  Mg236  1  0.643560  0.660257  0.608350  1
  Mg  Mg237  1  0.560159  0.995233  0.596849  1
  Mg  Mg238  1  0.725280  0.325227  0.619915  1
  Mg  Mg239  1  0.060159  0.995233  0.596849  1
  Mg  Mg240  1  0.225280  0.325227  0.619915  1
  Mg  Mg241  1  0.516617  0.572541  0.636986  1
  Mg  Mg242  1  0.016617  0.572541  0.636986  1
  Mg  Mg243  1  0.933386  0.907633  0.625694  1
  Mg  Mg244  1  0.098291  0.237659  0.648601  1
  Mg  Mg245  1  0.433386  0.907633  0.625694  1
  Mg  Mg246  1  0.598291  0.237659  0.648601  1
  Mg  Mg247  1  0.807554  0.819936  0.654045  1
  Mg  Mg248  1  0.307554  0.819936  0.654045  1
  Mg  Mg249  1  0.224118  0.155074  0.642671  1
  Mg  Mg250  1  0.642555  0.490057  0.631234  1
  Mg  Mg251  1  0.724118  0.155074  0.642671  1
  Mg  Mg252  1  0.142555  0.490057  0.631234  1
  Mg  Mg253  1  0.599315  0.737658  0.648600  1
  Mg  Mg254  1  0.099315  0.737658  0.648600  1
  Mg  Mg255  1  0.015876  0.072540  0.636987  1
  Mg  Mg256  1  0.434199  0.407633  0.625694  1
  Mg  Mg257  1  0.515876  0.072540  0.636987  1
  Mg  Mg258  1  0.934199  0.407633  0.625694  1
  Mg  Mg259  1  0.890907  0.655074  0.642671  1
  Mg  Mg260  1  0.390907  0.655074  0.642671  1
  Mg  Mg261  1  0.307455  0.990057  0.631235  1
  Mg  Mg262  1  0.472322  0.319936  0.654047  1
  Mg  Mg263  1  0.807455  0.990057  0.631235  1
  Mg  Mg264  1  0.972322  0.319936  0.654047  1
  Mg  Mg265  1  0.264057  0.567502  0.671164  1
  Mg  Mg266  1  0.764057  0.567502  0.671164  1
  Mg  Mg267  1  0.680695  0.902412  0.660146  1
  Mg  Mg268  1  0.845621  0.232293  0.682685  1
  Mg  Mg269  1  0.180695  0.902412  0.660146  1
  Mg  Mg270  1  0.345621  0.232293  0.682685  1
  Mg  Mg271  1  0.554727  0.814667  0.688436  1
  Mg  Mg272  1  0.054727  0.814667  0.688436  1
  Mg  Mg273  1  0.972255  0.149848  0.676874  1
  Mg  Mg274  1  0.390462  0.485033  0.665540  1
  Mg  Mg275  1  0.472255  0.149848  0.676874  1
  Mg  Mg276  1  0.890462  0.485033  0.665540  1
  Mg  Mg277  1  0.346620  0.732295  0.682684  1
  Mg  Mg278  1  0.846620  0.732295  0.682684  1
  Mg  Mg279  1  0.763399  0.067501  0.671164  1
  Mg  Mg280  1  0.181670  0.402412  0.660144  1
  Mg  Mg281  1  0.263399  0.067501  0.671164  1
  Mg  Mg282  1  0.681670  0.402412  0.660144  1
  Mg  Mg283  1  0.637547  0.649848  0.676873  1
  Mg  Mg284  1  0.137547  0.649848  0.676873  1
  Mg  Mg285  1  0.054525  0.985032  0.665542  1
  Mg  Mg286  1  0.219878  0.314670  0.688439  1
  Mg  Mg287  1  0.554525  0.985032  0.665542  1
  Mg  Mg288  1  0.719878  0.314670  0.688439  1
  Mg  Mg289  1  0.011452  0.562589  0.704925  1
  Mg  Mg290  1  0.511452  0.562589  0.704925  1
  Mg  Mg291  1  0.427046  0.897258  0.693878  1
  Mg  Mg292  1  0.593187  0.226538  0.716389  1
  Mg  Mg293  1  0.927046  0.897258  0.693878  1
  Mg  Mg294  1  0.093187  0.226538  0.716389  1
  Mg  Mg295  1  0.301280  0.808658  0.721602  1
  Mg  Mg296  1  0.801280  0.808658  0.721602  1
  Mg  Mg297  1  0.719550  0.144718  0.710433  1
  Mg  Mg298  1  0.137243  0.480402  0.699007  1
  Mg  Mg299  1  0.219550  0.144718  0.710433  1
  Mg  Mg300  1  0.637243  0.480402  0.699007  1
  Mg  Mg301  1  0.093305  0.726540  0.716391  1
  Mg  Mg302  1  0.593305  0.726540  0.716391  1
  Mg  Mg303  1  0.511094  0.062588  0.704927  1
  Mg  Mg304  1  0.930166  0.397259  0.693879  1
  Mg  Mg305  1  0.011094  0.062588  0.704927  1
  Mg  Mg306  1  0.430166  0.397259  0.693879  1
  Mg  Mg307  1  0.385129  0.644724  0.710433  1
  Mg  Mg308  1  0.885129  0.644724  0.710433  1
  Mg  Mg309  1  0.803118  0.980406  0.699008  1
  Mg  Mg310  1  0.967305  0.308654  0.721604  1
  Mg  Mg311  1  0.303118  0.980406  0.699008  1
  Mg  Mg312  1  0.467305  0.308654  0.721604  1
