# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.86912259
_cell_length_b   16.76735378
_cell_length_c   45.94049279
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.28377826
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg198
_cell_volume   10176.7360342
_cell_formula_units_Z   198
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  0.159503  0.711108  0.298574  1
  Mg  Mg2  1  0.492836  0.377774  0.298574  1
  Mg  Mg3  1  0.552157  0.722115  0.285222  1
  Mg  Mg4  1  0.768289  0.700709  0.310889  1
  Mg  Mg5  1  0.101622  0.367376  0.310889  1
  Mg  Mg6  1  0.434955  0.034043  0.310889  1
  Mg  Mg7  1  0.826169  0.044441  0.298574  1
  Mg  Mg8  1  0.885490  0.388782  0.285222  1
  Mg  Mg9  1  0.218823  0.055448  0.285222  1
  Mg  Mg10  1  0.175164  0.527393  0.319749  1
  Mg  Mg11  1  0.508497  0.194060  0.319749  1
  Mg  Mg12  1  0.567531  0.538106  0.306491  1
  Mg  Mg13  1  0.958187  0.547661  0.293862  1
  Mg  Mg14  1  0.291520  0.214327  0.293862  1
  Mg  Mg15  1  0.624853  0.880994  0.293862  1
  Mg  Mg16  1  0.841831  0.860726  0.319749  1
  Mg  Mg17  1  0.900864  0.204773  0.306491  1
  Mg  Mg18  1  0.234198  0.871440  0.306491  1
  Mg  Mg19  1  0.986403  0.681620  0.337413  1
  Mg  Mg20  1  0.319736  0.348287  0.337413  1
  Mg  Mg21  1  0.377563  0.690983  0.323717  1
  Mg  Mg22  1  0.594509  0.672993  0.350497  1
  Mg  Mg23  1  0.927842  0.339659  0.350497  1
  Mg  Mg24  1  0.261176  0.006326  0.350497  1
  Mg  Mg25  1  0.653070  0.014953  0.337413  1
  Mg  Mg26  1  0.710896  0.357650  0.323717  1
  Mg  Mg27  1  0.044230  0.024317  0.323717  1
  Mg  Mg28  1  0.001081  0.499472  0.359166  1
  Mg  Mg29  1  0.334414  0.166139  0.359166  1
  Mg  Mg30  1  0.392625  0.509489  0.345976  1
  Mg  Mg31  1  0.783594  0.518823  0.332714  1
  Mg  Mg32  1  0.116928  0.185490  0.332714  1
  Mg  Mg33  1  0.450261  0.852156  0.332714  1
  Mg  Mg34  1  0.667748  0.832806  0.359166  1
  Mg  Mg35  1  0.725959  0.176155  0.345976  1
  Mg  Mg36  1  0.059292  0.842822  0.345976  1
  Mg  Mg37  1  0.812226  0.653877  0.376911  1
  Mg  Mg38  1  0.145559  0.320543  0.376911  1
  Mg  Mg39  1  0.203422  0.663255  0.363825  1
  Mg  Mg40  1  0.420937  0.644568  0.390179  1
  Mg  Mg41  1  0.754270  0.311234  0.390179  1
  Mg  Mg42  1  0.087604  0.977901  0.390179  1
  Mg  Mg43  1  0.478893  0.987210  0.376911  1
  Mg  Mg44  1  0.536755  0.329922  0.363825  1
  Mg  Mg45  1  0.870088  0.996588  0.363825  1
  Mg  Mg46  1  0.826776  0.471751  0.399112  1
  Mg  Mg47  1  0.160109  0.138417  0.399112  1
  Mg  Mg48  1  0.218353  0.481000  0.385777  1
  Mg  Mg49  1  0.609687  0.490083  0.372257  1
  Mg  Mg50  1  0.943020  0.156750  0.372257  1
  Mg  Mg51  1  0.276354  0.823417  0.372257  1
  Mg  Mg52  1  0.493443  0.805084  0.399112  1
  Mg  Mg53  1  0.551686  0.147667  0.385777  1
  Mg  Mg54  1  0.885020  0.814333  0.385777  1
  Mg  Mg55  1  0.638304  0.625640  0.417031  1
  Mg  Mg56  1  0.971637  0.292306  0.417031  1
  Mg  Mg57  1  0.029667  0.635035  0.403656  1
  Mg  Mg58  1  0.247095  0.616336  0.430485  1
  Mg  Mg59  1  0.580428  0.283003  0.430485  1
  Mg  Mg60  1  0.913762  0.949670  0.430485  1
  Mg  Mg61  1  0.304971  0.958973  0.417031  1
  Mg  Mg62  1  0.363000  0.301701  0.403656  1
  Mg  Mg63  1  0.696333  0.968368  0.403656  1
  Mg  Mg64  1  0.653002  0.443438  0.439249  1
  Mg  Mg65  1  0.986335  0.110105  0.439249  1
  Mg  Mg66  1  0.044394  0.452770  0.425929  1
  Mg  Mg67  1  0.435581  0.462328  0.412476  1
  Mg  Mg68  1  0.768915  0.128995  0.412476  1
  Mg  Mg69  1  0.102248  0.795662  0.412476  1
  Mg  Mg70  1  0.319669  0.776772  0.439249  1
  Mg  Mg71  1  0.377728  0.119437  0.425929  1
  Mg  Mg72  1  0.711061  0.786103  0.425929  1
  Mg  Mg73  1  0.464502  0.597617  0.457166  1
  Mg  Mg74  1  0.797836  0.264283  0.457166  1
  Mg  Mg75  1  0.855830  0.606969  0.443802  1
  Mg  Mg76  1  0.073269  0.588244  0.470624  1
  Mg  Mg77  1  0.406602  0.254911  0.470624  1
  Mg  Mg78  1  0.739936  0.921578  0.470624  1
  Mg  Mg79  1  0.131169  0.930950  0.457166  1
  Mg  Mg80  1  0.189163  0.273636  0.443802  1
  Mg  Mg81  1  0.522497  0.940303  0.443802  1
  Mg  Mg82  1  0.479141  0.415417  0.479509  1
  Mg  Mg83  1  0.812474  0.082084  0.479509  1
  Mg  Mg84  1  0.870436  0.424743  0.466079  1
  Mg  Mg85  1  0.261821  0.434072  0.452706  1
  Mg  Mg86  1  0.595154  0.100739  0.452706  1
  Mg  Mg87  1  0.928488  0.767405  0.452706  1
  Mg  Mg88  1  0.145807  0.748751  0.479509  1
  Mg  Mg89  1  0.203769  0.091409  0.466079  1
  Mg  Mg90  1  0.537103  0.758076  0.466079  1
  Mg  Mg91  1  0.290660  0.569579  0.497441  1
  Mg  Mg92  1  0.623994  0.236246  0.497441  1
  Mg  Mg93  1  0.681932  0.578917  0.483992  1
  Mg  Mg94  1  0.899327  0.560257  0.510786  1
  Mg  Mg95  1  0.232660  0.226924  0.510786  1
  Mg  Mg96  1  0.565993  0.893590  0.510786  1
  Mg  Mg97  1  0.957327  0.902913  0.497441  1
  Mg  Mg98  1  0.015265  0.245584  0.483992  1
  Mg  Mg99  1  0.348599  0.912251  0.483992  1
  Mg  Mg100  1  0.305265  0.387389  0.519702  1
  Mg  Mg101  1  0.638599  0.054056  0.519702  1
  Mg  Mg102  1  0.696537  0.396727  0.506253  1
  Mg  Mg103  1  0.087871  0.406050  0.492907  1
  Mg  Mg104  1  0.421204  0.072717  0.492907  1
  Mg  Mg105  1  0.754537  0.739383  0.492907  1
  Mg  Mg106  1  0.971932  0.720723  0.519702  1
  Mg  Mg107  1  0.029870  0.063394  0.506253  1
  Mg  Mg108  1  0.363204  0.730061  0.506253  1
  Mg  Mg109  1  0.116761  0.541564  0.537615  1
  Mg  Mg110  1  0.450095  0.208231  0.537615  1
  Mg  Mg111  1  0.508057  0.550889  0.524185  1
  Mg  Mg112  1  0.725376  0.532235  0.550987  1
  Mg  Mg113  1  0.058710  0.198901  0.550987  1
  Mg  Mg114  1  0.392043  0.865568  0.550987  1
  Mg  Mg115  1  0.783428  0.874897  0.537615  1
  Mg  Mg116  1  0.841390  0.217556  0.524185  1
  Mg  Mg117  1  0.174723  0.884223  0.524185  1
  Mg  Mg118  1  0.131367  0.359337  0.559892  1
  Mg  Mg119  1  0.464701  0.026004  0.559892  1
  Mg  Mg120  1  0.522695  0.368690  0.546527  1
  Mg  Mg121  1  0.913928  0.378062  0.533070  1
  Mg  Mg122  1  0.247262  0.044729  0.533070  1
  Mg  Mg123  1  0.580595  0.711396  0.533070  1
  Mg  Mg124  1  0.798034  0.692671  0.559892  1
  Mg  Mg125  1  0.856028  0.035357  0.546527  1
  Mg  Mg126  1  0.189362  0.702023  0.546527  1
  Mg  Mg127  1  0.942803  0.513537  0.577764  1
  Mg  Mg128  1  0.276136  0.180203  0.577764  1
  Mg  Mg129  1  0.334195  0.522868  0.564444  1
  Mg  Mg130  1  0.551616  0.503978  0.591217  1
  Mg  Mg131  1  0.884950  0.170645  0.591217  1
  Mg  Mg132  1  0.218283  0.837312  0.591217  1
  Mg  Mg133  1  0.609470  0.846870  0.577764  1
  Mg  Mg134  1  0.667529  0.189535  0.564444  1
  Mg  Mg135  1  0.000862  0.856202  0.564444  1
  Mg  Mg136  1  0.957531  0.331272  0.600037  1
  Mg  Mg137  1  0.290864  0.997939  0.600037  1
  Mg  Mg138  1  0.348893  0.340667  0.586663  1
  Mg  Mg139  1  0.740102  0.349970  0.573208  1
  Mg  Mg140  1  0.073436  0.016637  0.573208  1
  Mg  Mg141  1  0.406769  0.683304  0.573208  1
  Mg  Mg142  1  0.624198  0.664605  0.600037  1
  Mg  Mg143  1  0.682227  0.007334  0.586663  1
  Mg  Mg144  1  0.015560  0.674000  0.586663  1
  Mg  Mg145  1  0.768844  0.485307  0.617916  1
  Mg  Mg146  1  0.102178  0.151973  0.617916  1
  Mg  Mg147  1  0.160421  0.494556  0.604582  1
  Mg  Mg148  1  0.377510  0.476223  0.631437  1
  Mg  Mg149  1  0.710844  0.142890  0.631437  1
  Mg  Mg150  1  0.044177  0.809557  0.631437  1
  Mg  Mg151  1  0.435511  0.818640  0.617916  1
  Mg  Mg152  1  0.493755  0.161223  0.604582  1
  Mg  Mg153  1  0.827088  0.827889  0.604582  1
  Mg  Mg154  1  0.783776  0.303052  0.639868  1
  Mg  Mg155  1  0.117109  0.969719  0.639868  1
  Mg  Mg156  1  0.174971  0.312430  0.626782  1
  Mg  Mg157  1  0.566260  0.321739  0.613515  1
  Mg  Mg158  1  0.899594  0.988406  0.613515  1
  Mg  Mg159  1  0.232927  0.655072  0.613515  1
  Mg  Mg160  1  0.450442  0.636385  0.639868  1
  Mg  Mg161  1  0.508305  0.979097  0.626782  1
  Mg  Mg162  1  0.841638  0.645763  0.626782  1
  Mg  Mg163  1  0.594572  0.456818  0.657718  1
  Mg  Mg164  1  0.927905  0.123485  0.657718  1
  Mg  Mg165  1  0.986117  0.466834  0.644528  1
  Mg  Mg166  1  0.203603  0.447484  0.670980  1
  Mg  Mg167  1  0.536937  0.114150  0.670980  1
  Mg  Mg168  1  0.870270  0.780817  0.670980  1
  Mg  Mg169  1  0.261239  0.790151  0.657718  1
  Mg  Mg170  1  0.319450  0.133501  0.644528  1
  Mg  Mg171  1  0.652783  0.800168  0.644528  1
  Mg  Mg172  1  0.609634  0.275324  0.679976  1
  Mg  Mg173  1  0.942968  0.941990  0.679976  1
  Mg  Mg174  1  0.000794  0.284687  0.666281  1
  Mg  Mg175  1  0.392688  0.293314  0.653197  1
  Mg  Mg176  1  0.726022  0.959981  0.653197  1
  Mg  Mg177  1  0.059355  0.626647  0.653197  1
  Mg  Mg178  1  0.276301  0.608657  0.679976  1
  Mg  Mg179  1  0.334128  0.951353  0.666281  1
  Mg  Mg180  1  0.667461  0.618020  0.666281  1
  Mg  Mg181  1  0.419667  0.428201  0.697202  1
  Mg  Mg182  1  0.753000  0.094867  0.697202  1
  Mg  Mg183  1  0.812034  0.438914  0.683945  1
  Mg  Mg184  1  0.029011  0.418646  0.709831  1
  Mg  Mg185  1  0.362344  0.085313  0.709831  1
  Mg  Mg186  1  0.695677  0.751979  0.709831  1
  Mg  Mg187  1  0.086333  0.761534  0.697202  1
  Mg  Mg188  1  0.145367  0.105581  0.683945  1
  Mg  Mg189  1  0.478700  0.772247  0.683945  1
  Mg  Mg190  1  0.435041  0.244192  0.718472  1
  Mg  Mg191  1  0.768374  0.910858  0.718472  1
  Mg  Mg192  1  0.827695  0.255199  0.705119  1
  Mg  Mg193  1  0.218909  0.265597  0.692805  1
  Mg  Mg194  1  0.552242  0.932264  0.692805  1
  Mg  Mg195  1  0.885576  0.598931  0.692805  1
  Mg  Mg196  1  0.101707  0.577525  0.718472  1
  Mg  Mg197  1  0.161028  0.921866  0.705119  1
  Mg  Mg198  1  0.494361  0.588533  0.705119  1
