# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.80620670
_cell_length_b   17.80620670
_cell_length_c   17.80620670
_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   Mg249
_cell_volume   5645.6536472
_cell_formula_units_Z   249
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  0.100113  0.100113  0.304732  1
  Mg  Mg2  1  0.100113  0.100113  0.499529  1
  Mg  Mg3  1  0.100113  0.100113  0.700697  1
  Mg  Mg4  1  0.100113  0.100113  0.895494  1
  Mg  Mg5  1  0.100113  0.304732  0.100113  1
  Mg  Mg6  1  0.100113  0.299918  0.299918  1
  Mg  Mg7  1  0.100113  0.300181  0.500016  1
  Mg  Mg8  1  0.100113  0.300181  0.700210  1
  Mg  Mg9  1  0.100113  0.299918  0.900308  1
  Mg  Mg10  1  0.100113  0.499529  0.100113  1
  Mg  Mg11  1  0.100113  0.500016  0.300181  1
  Mg  Mg12  1  0.100113  0.499920  0.499920  1
  Mg  Mg13  1  0.100113  0.499920  0.700306  1
  Mg  Mg14  1  0.100113  0.500016  0.900045  1
  Mg  Mg15  1  0.100113  0.700697  0.100113  1
  Mg  Mg16  1  0.100113  0.700210  0.300181  1
  Mg  Mg17  1  0.100113  0.700306  0.499920  1
  Mg  Mg18  1  0.100113  0.700306  0.700306  1
  Mg  Mg19  1  0.100113  0.700210  0.900045  1
  Mg  Mg20  1  0.100113  0.895494  0.100113  1
  Mg  Mg21  1  0.100113  0.900308  0.299918  1
  Mg  Mg22  1  0.100113  0.900045  0.500016  1
  Mg  Mg23  1  0.100113  0.900045  0.700210  1
  Mg  Mg24  1  0.100113  0.900308  0.900308  1
  Mg  Mg25  1  0.304732  0.100113  0.100113  1
  Mg  Mg26  1  0.299918  0.100113  0.299918  1
  Mg  Mg27  1  0.300181  0.100113  0.500016  1
  Mg  Mg28  1  0.300181  0.100113  0.700210  1
  Mg  Mg29  1  0.299918  0.100113  0.900308  1
  Mg  Mg30  1  0.299918  0.299918  0.100113  1
  Mg  Mg31  1  0.298793  0.298793  0.298793  1
  Mg  Mg32  1  0.300099  0.300099  0.500452  1
  Mg  Mg33  1  0.300099  0.300099  0.699774  1
  Mg  Mg34  1  0.298793  0.298793  0.901432  1
  Mg  Mg35  1  0.300181  0.500016  0.100113  1
  Mg  Mg36  1  0.300099  0.500452  0.300099  1
  Mg  Mg37  1  0.300207  0.500100  0.500100  1
  Mg  Mg38  1  0.300207  0.500100  0.700126  1
  Mg  Mg39  1  0.300099  0.500452  0.900127  1
  Mg  Mg40  1  0.300181  0.700210  0.100113  1
  Mg  Mg41  1  0.300099  0.699774  0.300099  1
  Mg  Mg42  1  0.300207  0.700126  0.500100  1
  Mg  Mg43  1  0.300207  0.700126  0.700126  1
  Mg  Mg44  1  0.300099  0.699774  0.900127  1
  Mg  Mg45  1  0.299918  0.900308  0.100113  1
  Mg  Mg46  1  0.298793  0.901432  0.298793  1
  Mg  Mg47  1  0.300099  0.900127  0.500452  1
  Mg  Mg48  1  0.300099  0.900127  0.699774  1
  Mg  Mg49  1  0.298793  0.901432  0.901432  1
  Mg  Mg50  1  0.499529  0.100113  0.100113  1
  Mg  Mg51  1  0.500016  0.100113  0.300181  1
  Mg  Mg52  1  0.499920  0.100113  0.499920  1
  Mg  Mg53  1  0.499920  0.100113  0.700306  1
  Mg  Mg54  1  0.500016  0.100113  0.900045  1
  Mg  Mg55  1  0.500016  0.300181  0.100113  1
  Mg  Mg56  1  0.500452  0.300099  0.300099  1
  Mg  Mg57  1  0.500100  0.300207  0.500100  1
  Mg  Mg58  1  0.500100  0.300207  0.700126  1
  Mg  Mg59  1  0.500452  0.300099  0.900127  1
  Mg  Mg60  1  0.499920  0.499920  0.100113  1
  Mg  Mg61  1  0.500100  0.500100  0.300207  1
  Mg  Mg62  1  0.499819  0.499819  0.499819  1
  Mg  Mg63  1  0.499819  0.499819  0.700407  1
  Mg  Mg64  1  0.500100  0.500100  0.900018  1
  Mg  Mg65  1  0.499920  0.700306  0.100113  1
  Mg  Mg66  1  0.500100  0.700126  0.300207  1
  Mg  Mg67  1  0.499819  0.700407  0.499819  1
  Mg  Mg68  1  0.499819  0.700407  0.700407  1
  Mg  Mg69  1  0.500100  0.700126  0.900018  1
  Mg  Mg70  1  0.500016  0.900045  0.100113  1
  Mg  Mg71  1  0.500452  0.900127  0.300099  1
  Mg  Mg72  1  0.500100  0.900018  0.500100  1
  Mg  Mg73  1  0.500100  0.900018  0.700126  1
  Mg  Mg74  1  0.500452  0.900127  0.900127  1
  Mg  Mg75  1  0.700697  0.100113  0.100113  1
  Mg  Mg76  1  0.700210  0.100113  0.300181  1
  Mg  Mg77  1  0.700306  0.100113  0.499920  1
  Mg  Mg78  1  0.700306  0.100113  0.700306  1
  Mg  Mg79  1  0.700210  0.100113  0.900045  1
  Mg  Mg80  1  0.700210  0.300181  0.100113  1
  Mg  Mg81  1  0.699774  0.300099  0.300099  1
  Mg  Mg82  1  0.700126  0.300207  0.500100  1
  Mg  Mg83  1  0.700126  0.300207  0.700126  1
  Mg  Mg84  1  0.699774  0.300099  0.900127  1
  Mg  Mg85  1  0.700306  0.499920  0.100113  1
  Mg  Mg86  1  0.700126  0.500100  0.300207  1
  Mg  Mg87  1  0.700407  0.499819  0.499819  1
  Mg  Mg88  1  0.700407  0.499819  0.700407  1
  Mg  Mg89  1  0.700126  0.500100  0.900018  1
  Mg  Mg90  1  0.700306  0.700306  0.100113  1
  Mg  Mg91  1  0.700126  0.700126  0.300207  1
  Mg  Mg92  1  0.700407  0.700407  0.499819  1
  Mg  Mg93  1  0.700407  0.700407  0.700407  1
  Mg  Mg94  1  0.700126  0.700126  0.900018  1
  Mg  Mg95  1  0.700210  0.900045  0.100113  1
  Mg  Mg96  1  0.699774  0.900127  0.300099  1
  Mg  Mg97  1  0.700126  0.900018  0.500100  1
  Mg  Mg98  1  0.700126  0.900018  0.700126  1
  Mg  Mg99  1  0.699774  0.900127  0.900127  1
  Mg  Mg100  1  0.895494  0.100113  0.100113  1
  Mg  Mg101  1  0.900308  0.100113  0.299918  1
  Mg  Mg102  1  0.900045  0.100113  0.500016  1
  Mg  Mg103  1  0.900045  0.100113  0.700210  1
  Mg  Mg104  1  0.900308  0.100113  0.900308  1
  Mg  Mg105  1  0.900308  0.299918  0.100113  1
  Mg  Mg106  1  0.901432  0.298793  0.298793  1
  Mg  Mg107  1  0.900127  0.300099  0.500452  1
  Mg  Mg108  1  0.900127  0.300099  0.699774  1
  Mg  Mg109  1  0.901432  0.298793  0.901432  1
  Mg  Mg110  1  0.900045  0.500016  0.100113  1
  Mg  Mg111  1  0.900127  0.500452  0.300099  1
  Mg  Mg112  1  0.900018  0.500100  0.500100  1
  Mg  Mg113  1  0.900018  0.500100  0.700126  1
  Mg  Mg114  1  0.900127  0.500452  0.900127  1
  Mg  Mg115  1  0.900045  0.700210  0.100113  1
  Mg  Mg116  1  0.900127  0.699774  0.300099  1
  Mg  Mg117  1  0.900018  0.700126  0.500100  1
  Mg  Mg118  1  0.900018  0.700126  0.700126  1
  Mg  Mg119  1  0.900127  0.699774  0.900127  1
  Mg  Mg120  1  0.900308  0.900308  0.100113  1
  Mg  Mg121  1  0.901432  0.901432  0.298793  1
  Mg  Mg122  1  0.900127  0.900127  0.500452  1
  Mg  Mg123  1  0.900127  0.900127  0.699774  1
  Mg  Mg124  1  0.901432  0.901432  0.901432  1
  Mg  Mg125  1  0.002412  0.002412  0.002412  1
  Mg  Mg126  1  0.002412  0.002412  0.197814  1
  Mg  Mg127  1  0.999717  0.999717  0.400348  1
  Mg  Mg128  1  0.000304  0.000304  0.600113  1
  Mg  Mg129  1  0.999717  0.999717  0.799878  1
  Mg  Mg130  1  0.002412  0.197814  0.002412  1
  Mg  Mg131  1  0.002412  0.197814  0.197814  1
  Mg  Mg132  1  0.999717  0.200509  0.400348  1
  Mg  Mg133  1  0.000304  0.199922  0.600113  1
  Mg  Mg134  1  0.999717  0.200509  0.799878  1
  Mg  Mg135  1  0.999717  0.400348  0.999717  1
  Mg  Mg136  1  0.999717  0.400348  0.200509  1
  Mg  Mg137  1  0.999808  0.399925  0.399925  1
  Mg  Mg138  1  0.000165  0.400188  0.600113  1
  Mg  Mg139  1  0.999808  0.399925  0.800301  1
  Mg  Mg140  1  0.000304  0.600113  0.000304  1
  Mg  Mg141  1  0.000304  0.600113  0.199922  1
  Mg  Mg142  1  0.000165  0.600113  0.400188  1
  Mg  Mg143  1  0.000252  0.600113  0.600113  1
  Mg  Mg144  1  0.000165  0.600113  0.800038  1
  Mg  Mg145  1  0.999717  0.799878  0.999717  1
  Mg  Mg146  1  0.999717  0.799878  0.200509  1
  Mg  Mg147  1  0.999808  0.800301  0.399925  1
  Mg  Mg148  1  0.000165  0.800038  0.600113  1
  Mg  Mg149  1  0.999808  0.800301  0.800301  1
  Mg  Mg150  1  0.197814  0.002412  0.002412  1
  Mg  Mg151  1  0.197814  0.002412  0.197814  1
  Mg  Mg152  1  0.200509  0.999717  0.400348  1
  Mg  Mg153  1  0.199922  0.000304  0.600113  1
  Mg  Mg154  1  0.200509  0.999717  0.799878  1
  Mg  Mg155  1  0.197814  0.197814  0.002412  1
  Mg  Mg156  1  0.197814  0.197814  0.197814  1
  Mg  Mg157  1  0.200509  0.200509  0.400348  1
  Mg  Mg158  1  0.199922  0.199922  0.600113  1
  Mg  Mg159  1  0.200509  0.200509  0.799878  1
  Mg  Mg160  1  0.200509  0.400348  0.999717  1
  Mg  Mg161  1  0.200509  0.400348  0.200509  1
  Mg  Mg162  1  0.200418  0.399925  0.399925  1
  Mg  Mg163  1  0.200061  0.400188  0.600113  1
  Mg  Mg164  1  0.200418  0.399925  0.800301  1
  Mg  Mg165  1  0.199922  0.600113  0.000304  1
  Mg  Mg166  1  0.199922  0.600113  0.199922  1
  Mg  Mg167  1  0.200061  0.600113  0.400188  1
  Mg  Mg168  1  0.199974  0.600113  0.600113  1
  Mg  Mg169  1  0.200061  0.600113  0.800038  1
  Mg  Mg170  1  0.200509  0.799878  0.999717  1
  Mg  Mg171  1  0.200509  0.799878  0.200509  1
  Mg  Mg172  1  0.200418  0.800301  0.399925  1
  Mg  Mg173  1  0.200061  0.800038  0.600113  1
  Mg  Mg174  1  0.200418  0.800301  0.800301  1
  Mg  Mg175  1  0.400348  0.999717  0.999717  1
  Mg  Mg176  1  0.400348  0.999717  0.200509  1
  Mg  Mg177  1  0.399925  0.999808  0.399925  1
  Mg  Mg178  1  0.400188  0.000165  0.600113  1
  Mg  Mg179  1  0.399925  0.999808  0.800301  1
  Mg  Mg180  1  0.400348  0.200509  0.999717  1
  Mg  Mg181  1  0.400348  0.200509  0.200509  1
  Mg  Mg182  1  0.399925  0.200418  0.399925  1
  Mg  Mg183  1  0.400188  0.200061  0.600113  1
  Mg  Mg184  1  0.399925  0.200418  0.800301  1
  Mg  Mg185  1  0.399925  0.399925  0.999808  1
  Mg  Mg186  1  0.399925  0.399925  0.200418  1
  Mg  Mg187  1  0.399434  0.399434  0.399434  1
  Mg  Mg188  1  0.400105  0.400105  0.600113  1
  Mg  Mg189  1  0.399434  0.399434  0.800792  1
  Mg  Mg190  1  0.400188  0.600113  0.000165  1
  Mg  Mg191  1  0.400188  0.600113  0.200061  1
  Mg  Mg192  1  0.400105  0.600113  0.400105  1
  Mg  Mg193  1  0.400306  0.600113  0.600113  1
  Mg  Mg194  1  0.400105  0.600113  0.800121  1
  Mg  Mg195  1  0.399925  0.800301  0.999808  1
  Mg  Mg196  1  0.399925  0.800301  0.200418  1
  Mg  Mg197  1  0.399434  0.800792  0.399434  1
  Mg  Mg198  1  0.400105  0.800121  0.600113  1
  Mg  Mg199  1  0.399434  0.800792  0.800792  1
  Mg  Mg200  1  0.600113  0.000304  0.000304  1
  Mg  Mg201  1  0.600113  0.000304  0.199922  1
  Mg  Mg202  1  0.600113  0.000165  0.400188  1
  Mg  Mg203  1  0.600113  0.000252  0.600113  1
  Mg  Mg204  1  0.600113  0.000165  0.800038  1
  Mg  Mg205  1  0.600113  0.199922  0.000304  1
  Mg  Mg206  1  0.600113  0.199922  0.199922  1
  Mg  Mg207  1  0.600113  0.200061  0.400188  1
  Mg  Mg208  1  0.600113  0.199974  0.600113  1
  Mg  Mg209  1  0.600113  0.200061  0.800038  1
  Mg  Mg210  1  0.600113  0.400188  0.000165  1
  Mg  Mg211  1  0.600113  0.400188  0.200061  1
  Mg  Mg212  1  0.600113  0.400105  0.400105  1
  Mg  Mg213  1  0.600113  0.400306  0.600113  1
  Mg  Mg214  1  0.600113  0.400105  0.800121  1
  Mg  Mg215  1  0.600113  0.600113  0.000252  1
  Mg  Mg216  1  0.600113  0.600113  0.199974  1
  Mg  Mg217  1  0.600113  0.600113  0.400306  1
  Mg  Mg218  1  0.600113  0.600113  0.600113  1
  Mg  Mg219  1  0.600113  0.600113  0.799920  1
  Mg  Mg220  1  0.600113  0.800038  0.000165  1
  Mg  Mg221  1  0.600113  0.800038  0.200061  1
  Mg  Mg222  1  0.600113  0.800121  0.400105  1
  Mg  Mg223  1  0.600113  0.799920  0.600113  1
  Mg  Mg224  1  0.600113  0.800121  0.800121  1
  Mg  Mg225  1  0.799878  0.999717  0.999717  1
  Mg  Mg226  1  0.799878  0.999717  0.200509  1
  Mg  Mg227  1  0.800301  0.999808  0.399925  1
  Mg  Mg228  1  0.800038  0.000165  0.600113  1
  Mg  Mg229  1  0.800301  0.999808  0.800301  1
  Mg  Mg230  1  0.799878  0.200509  0.999717  1
  Mg  Mg231  1  0.799878  0.200509  0.200509  1
  Mg  Mg232  1  0.800301  0.200418  0.399925  1
  Mg  Mg233  1  0.800038  0.200061  0.600113  1
  Mg  Mg234  1  0.800301  0.200418  0.800301  1
  Mg  Mg235  1  0.800301  0.399925  0.999808  1
  Mg  Mg236  1  0.800301  0.399925  0.200418  1
  Mg  Mg237  1  0.800792  0.399434  0.399434  1
  Mg  Mg238  1  0.800121  0.400105  0.600113  1
  Mg  Mg239  1  0.800792  0.399434  0.800792  1
  Mg  Mg240  1  0.800038  0.600113  0.000165  1
  Mg  Mg241  1  0.800038  0.600113  0.200061  1
  Mg  Mg242  1  0.800121  0.600113  0.400105  1
  Mg  Mg243  1  0.799920  0.600113  0.600113  1
  Mg  Mg244  1  0.800121  0.600113  0.800121  1
  Mg  Mg245  1  0.800301  0.800301  0.999808  1
  Mg  Mg246  1  0.800301  0.800301  0.200418  1
  Mg  Mg247  1  0.800792  0.800792  0.399434  1
  Mg  Mg248  1  0.800121  0.800121  0.600113  1
  Mg  Mg249  1  0.800792  0.800792  0.800792  1
