# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.53681400
_cell_length_b   14.05566476
_cell_length_c   46.56666590
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg216
_cell_volume   10823.7655385
_cell_formula_units_Z   216
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  0.056508  0.726235  0.297989  1
  Mg  Mg2  1  0.223381  0.650438  0.321425  1
  Mg  Mg3  1  0.056714  0.150438  0.321425  1
  Mg  Mg4  1  0.389841  0.726235  0.297989  1
  Mg  Mg5  1  0.556714  0.650438  0.321425  1
  Mg  Mg6  1  0.223175  0.226235  0.297989  1
  Mg  Mg7  1  0.390048  0.150438  0.321425  1
  Mg  Mg8  1  0.723175  0.726235  0.297989  1
  Mg  Mg9  1  0.890048  0.650438  0.321425  1
  Mg  Mg10  1  0.556508  0.226235  0.297989  1
  Mg  Mg11  1  0.723381  0.150438  0.321425  1
  Mg  Mg12  1  0.889841  0.226235  0.297989  1
  Mg  Mg13  1  0.111731  0.939761  0.309413  1
  Mg  Mg14  1  0.278440  0.015390  0.286029  1
  Mg  Mg15  1  0.111773  0.515390  0.286029  1
  Mg  Mg16  1  0.445064  0.939761  0.309413  1
  Mg  Mg17  1  0.611773  0.015390  0.286029  1
  Mg  Mg18  1  0.278397  0.439761  0.309413  1
  Mg  Mg19  1  0.445106  0.515390  0.286029  1
  Mg  Mg20  1  0.778397  0.939761  0.309413  1
  Mg  Mg21  1  0.945106  0.015390  0.286029  1
  Mg  Mg22  1  0.611731  0.439761  0.309413  1
  Mg  Mg23  1  0.778440  0.515390  0.286029  1
  Mg  Mg24  1  0.945064  0.439761  0.309413  1
  Mg  Mg25  1  0.056446  0.574629  0.346500  1
  Mg  Mg26  1  0.222507  0.497588  0.370519  1
  Mg  Mg27  1  0.055840  0.997588  0.370519  1
  Mg  Mg28  1  0.389779  0.574629  0.346500  1
  Mg  Mg29  1  0.555840  0.497588  0.370519  1
  Mg  Mg30  1  0.223113  0.074629  0.346500  1
  Mg  Mg31  1  0.389174  0.997588  0.370519  1
  Mg  Mg32  1  0.723113  0.574629  0.346500  1
  Mg  Mg33  1  0.889174  0.497588  0.370519  1
  Mg  Mg34  1  0.556446  0.074629  0.346500  1
  Mg  Mg35  1  0.722507  0.997588  0.370519  1
  Mg  Mg36  1  0.889779  0.074629  0.346500  1
  Mg  Mg37  1  0.111346  0.785960  0.358549  1
  Mg  Mg38  1  0.277823  0.862528  0.333798  1
  Mg  Mg39  1  0.111156  0.362528  0.333798  1
  Mg  Mg40  1  0.444679  0.785960  0.358549  1
  Mg  Mg41  1  0.611156  0.862528  0.333798  1
  Mg  Mg42  1  0.278012  0.285960  0.358549  1
  Mg  Mg43  1  0.444490  0.362528  0.333798  1
  Mg  Mg44  1  0.778012  0.785960  0.358549  1
  Mg  Mg45  1  0.944490  0.862528  0.333798  1
  Mg  Mg46  1  0.611346  0.285960  0.358549  1
  Mg  Mg47  1  0.777823  0.362528  0.333798  1
  Mg  Mg48  1  0.944679  0.285960  0.358549  1
  Mg  Mg49  1  0.055807  0.421135  0.395877  1
  Mg  Mg50  1  0.222401  0.344923  0.421043  1
  Mg  Mg51  1  0.055735  0.844923  0.421043  1
  Mg  Mg52  1  0.389141  0.421135  0.395877  1
  Mg  Mg53  1  0.555735  0.344923  0.421043  1
  Mg  Mg54  1  0.222474  0.921135  0.395877  1
  Mg  Mg55  1  0.389068  0.844923  0.421043  1
  Mg  Mg56  1  0.722474  0.421135  0.395877  1
  Mg  Mg57  1  0.889068  0.344923  0.421043  1
  Mg  Mg58  1  0.555807  0.921135  0.395877  1
  Mg  Mg59  1  0.722401  0.844923  0.421043  1
  Mg  Mg60  1  0.889141  0.921135  0.395877  1
  Mg  Mg61  1  0.111648  0.633078  0.408626  1
  Mg  Mg62  1  0.278073  0.709395  0.383338  1
  Mg  Mg63  1  0.111406  0.209395  0.383338  1
  Mg  Mg64  1  0.444981  0.633078  0.408626  1
  Mg  Mg65  1  0.611406  0.709395  0.383338  1
  Mg  Mg66  1  0.278314  0.133078  0.408626  1
  Mg  Mg67  1  0.444739  0.209395  0.383338  1
  Mg  Mg68  1  0.778314  0.633078  0.408626  1
  Mg  Mg69  1  0.944739  0.709395  0.383338  1
  Mg  Mg70  1  0.611648  0.133078  0.408626  1
  Mg  Mg71  1  0.778073  0.209395  0.383338  1
  Mg  Mg72  1  0.944981  0.133078  0.408626  1
  Mg  Mg73  1  0.055866  0.268359  0.446260  1
  Mg  Mg74  1  0.222438  0.191860  0.471427  1
  Mg  Mg75  1  0.055771  0.691860  0.471427  1
  Mg  Mg76  1  0.389199  0.268359  0.446260  1
  Mg  Mg77  1  0.555771  0.191860  0.471427  1
  Mg  Mg78  1  0.222533  0.768359  0.446260  1
  Mg  Mg79  1  0.389104  0.691860  0.471427  1
  Mg  Mg80  1  0.722533  0.268359  0.446260  1
  Mg  Mg81  1  0.889104  0.191860  0.471427  1
  Mg  Mg82  1  0.555866  0.768359  0.446260  1
  Mg  Mg83  1  0.722438  0.691860  0.471427  1
  Mg  Mg84  1  0.889199  0.768359  0.446260  1
  Mg  Mg85  1  0.111370  0.480037  0.458835  1
  Mg  Mg86  1  0.278088  0.556454  0.433551  1
  Mg  Mg87  1  0.111422  0.056454  0.433551  1
  Mg  Mg88  1  0.444704  0.480037  0.458835  1
  Mg  Mg89  1  0.611422  0.556454  0.433551  1
  Mg  Mg90  1  0.278037  0.980037  0.458835  1
  Mg  Mg91  1  0.444755  0.056454  0.433551  1
  Mg  Mg92  1  0.778037  0.480037  0.458835  1
  Mg  Mg93  1  0.944755  0.556454  0.433551  1
  Mg  Mg94  1  0.611370  0.980037  0.458835  1
  Mg  Mg95  1  0.778088  0.056454  0.433551  1
  Mg  Mg96  1  0.944704  0.980037  0.458835  1
  Mg  Mg97  1  0.055834  0.115291  0.496567  1
  Mg  Mg98  1  0.222489  0.038823  0.521800  1
  Mg  Mg99  1  0.055822  0.538823  0.521800  1
  Mg  Mg100  1  0.389168  0.115291  0.496567  1
  Mg  Mg101  1  0.555822  0.038823  0.521800  1
  Mg  Mg102  1  0.222501  0.615291  0.496567  1
  Mg  Mg103  1  0.389155  0.538823  0.521800  1
  Mg  Mg104  1  0.722501  0.115291  0.496567  1
  Mg  Mg105  1  0.889155  0.038823  0.521800  1
  Mg  Mg106  1  0.555834  0.615291  0.496567  1
  Mg  Mg107  1  0.722489  0.538823  0.521800  1
  Mg  Mg108  1  0.889168  0.615291  0.496567  1
  Mg  Mg109  1  0.111367  0.327102  0.509245  1
  Mg  Mg110  1  0.278046  0.403570  0.484011  1
  Mg  Mg111  1  0.111380  0.903570  0.484011  1
  Mg  Mg112  1  0.444701  0.327102  0.509245  1
  Mg  Mg113  1  0.611380  0.403570  0.484011  1
  Mg  Mg114  1  0.278034  0.827102  0.509245  1
  Mg  Mg115  1  0.444713  0.903570  0.484011  1
  Mg  Mg116  1  0.778034  0.327102  0.509245  1
  Mg  Mg117  1  0.944713  0.403570  0.484011  1
  Mg  Mg118  1  0.611367  0.827102  0.509245  1
  Mg  Mg119  1  0.778046  0.903570  0.484011  1
  Mg  Mg120  1  0.944701  0.827102  0.509245  1
  Mg  Mg121  1  0.055831  0.962355  0.546976  1
  Mg  Mg122  1  0.222447  0.885938  0.572260  1
  Mg  Mg123  1  0.055780  0.385938  0.572260  1
  Mg  Mg124  1  0.389165  0.962355  0.546976  1
  Mg  Mg125  1  0.555780  0.885938  0.572260  1
  Mg  Mg126  1  0.222498  0.462355  0.546976  1
  Mg  Mg127  1  0.389113  0.385938  0.572260  1
  Mg  Mg128  1  0.722498  0.962355  0.546976  1
  Mg  Mg129  1  0.889113  0.885938  0.572260  1
  Mg  Mg130  1  0.555831  0.462355  0.546976  1
  Mg  Mg131  1  0.722447  0.385938  0.572260  1
  Mg  Mg132  1  0.889165  0.462355  0.546976  1
  Mg  Mg133  1  0.111336  0.174033  0.559552  1
  Mg  Mg134  1  0.278097  0.250532  0.534384  1
  Mg  Mg135  1  0.111431  0.750532  0.534384  1
  Mg  Mg136  1  0.444669  0.174033  0.559552  1
  Mg  Mg137  1  0.611431  0.250532  0.534384  1
  Mg  Mg138  1  0.278002  0.674033  0.559552  1
  Mg  Mg139  1  0.444764  0.750532  0.534384  1
  Mg  Mg140  1  0.778002  0.174033  0.559552  1
  Mg  Mg141  1  0.944764  0.250532  0.534384  1
  Mg  Mg142  1  0.611336  0.674033  0.559552  1
  Mg  Mg143  1  0.778097  0.750532  0.534384  1
  Mg  Mg144  1  0.944669  0.674033  0.559552  1
  Mg  Mg145  1  0.055554  0.809314  0.597185  1
  Mg  Mg146  1  0.222462  0.732998  0.622473  1
  Mg  Mg147  1  0.055796  0.232998  0.622473  1
  Mg  Mg148  1  0.388887  0.809314  0.597185  1
  Mg  Mg149  1  0.555796  0.732998  0.622473  1
  Mg  Mg150  1  0.222221  0.309314  0.597185  1
  Mg  Mg151  1  0.389129  0.232998  0.622473  1
  Mg  Mg152  1  0.722221  0.809314  0.597185  1
  Mg  Mg153  1  0.889129  0.732998  0.622473  1
  Mg  Mg154  1  0.555554  0.309314  0.597185  1
  Mg  Mg155  1  0.722462  0.232998  0.622473  1
  Mg  Mg156  1  0.888887  0.309314  0.597185  1
  Mg  Mg157  1  0.111394  0.021257  0.609934  1
  Mg  Mg158  1  0.278134  0.097469  0.584768  1
  Mg  Mg159  1  0.111467  0.597469  0.584768  1
  Mg  Mg160  1  0.444728  0.021257  0.609934  1
  Mg  Mg161  1  0.611467  0.097469  0.584768  1
  Mg  Mg162  1  0.278061  0.521257  0.609934  1
  Mg  Mg163  1  0.444800  0.597469  0.584768  1
  Mg  Mg164  1  0.778061  0.021257  0.609934  1
  Mg  Mg165  1  0.944800  0.097469  0.584768  1
  Mg  Mg166  1  0.611394  0.521257  0.609934  1
  Mg  Mg167  1  0.778134  0.597469  0.584768  1
  Mg  Mg168  1  0.944728  0.521257  0.609934  1
  Mg  Mg169  1  0.055856  0.656433  0.647262  1
  Mg  Mg170  1  0.222712  0.579864  0.672013  1
  Mg  Mg171  1  0.056045  0.079864  0.672013  1
  Mg  Mg172  1  0.389189  0.656433  0.647262  1
  Mg  Mg173  1  0.556045  0.579864  0.672013  1
  Mg  Mg174  1  0.222523  0.156433  0.647262  1
  Mg  Mg175  1  0.389379  0.079864  0.672013  1
  Mg  Mg176  1  0.722523  0.656433  0.647262  1
  Mg  Mg177  1  0.889379  0.579864  0.672013  1
  Mg  Mg178  1  0.555856  0.156433  0.647262  1
  Mg  Mg179  1  0.722712  0.079864  0.672013  1
  Mg  Mg180  1  0.889189  0.156433  0.647262  1
  Mg  Mg181  1  0.110756  0.867763  0.659311  1
  Mg  Mg182  1  0.278028  0.944805  0.635292  1
  Mg  Mg183  1  0.111361  0.444805  0.635292  1
  Mg  Mg184  1  0.444089  0.867763  0.659311  1
  Mg  Mg185  1  0.611361  0.944805  0.635292  1
  Mg  Mg186  1  0.277422  0.367763  0.659311  1
  Mg  Mg187  1  0.444695  0.444805  0.635292  1
  Mg  Mg188  1  0.777422  0.867763  0.659311  1
  Mg  Mg189  1  0.944695  0.944805  0.635292  1
  Mg  Mg190  1  0.610756  0.367763  0.659311  1
  Mg  Mg191  1  0.778028  0.444805  0.635292  1
  Mg  Mg192  1  0.944089  0.367763  0.659311  1
  Mg  Mg193  1  0.055471  0.502632  0.696398  1
  Mg  Mg194  1  0.222096  0.427002  0.719783  1
  Mg  Mg195  1  0.055429  0.927002  0.719783  1
  Mg  Mg196  1  0.388804  0.502632  0.696398  1
  Mg  Mg197  1  0.555429  0.427002  0.719783  1
  Mg  Mg198  1  0.222138  0.002632  0.696398  1
  Mg  Mg199  1  0.388762  0.927002  0.719783  1
  Mg  Mg200  1  0.722138  0.502632  0.696398  1
  Mg  Mg201  1  0.888762  0.427002  0.719783  1
  Mg  Mg202  1  0.555471  0.002632  0.696398  1
  Mg  Mg203  1  0.722096  0.927002  0.719783  1
  Mg  Mg204  1  0.888804  0.002632  0.696398  1
  Mg  Mg205  1  0.110694  0.716158  0.707822  1
  Mg  Mg206  1  0.277154  0.791954  0.684386  1
  Mg  Mg207  1  0.110487  0.291954  0.684386  1
  Mg  Mg208  1  0.444027  0.716158  0.707822  1
  Mg  Mg209  1  0.610487  0.791954  0.684386  1
  Mg  Mg210  1  0.277360  0.216158  0.707822  1
  Mg  Mg211  1  0.443821  0.291954  0.684386  1
  Mg  Mg212  1  0.777360  0.716158  0.707822  1
  Mg  Mg213  1  0.943821  0.791954  0.684386  1
  Mg  Mg214  1  0.610694  0.216158  0.707822  1
  Mg  Mg215  1  0.777154  0.291954  0.684386  1
  Mg  Mg216  1  0.944027  0.216158  0.707822  1
