# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.05141992
_cell_length_b   12.83399125
_cell_length_c   45.37760989
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg108
_cell_volume   5384.62470282
_cell_formula_units_Z   108
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  0.398047  0.129466  0.300108  1
  Mg  Mg2  1  0.898047  0.129466  0.300108  1
  Mg  Mg3  1  0.822822  0.479158  0.288877  1
  Mg  Mg4  1  0.957916  0.749075  0.321190  1
  Mg  Mg5  1  0.322822  0.479158  0.288877  1
  Mg  Mg6  1  0.457916  0.749075  0.321190  1
  Mg  Mg7  1  0.707916  0.249075  0.321190  1
  Mg  Mg8  1  0.207916  0.249075  0.321190  1
  Mg  Mg9  1  0.148047  0.629466  0.300108  1
  Mg  Mg10  1  0.572822  0.979158  0.288877  1
  Mg  Mg11  1  0.648047  0.629466  0.300108  1
  Mg  Mg12  1  0.072822  0.979158  0.288877  1
  Mg  Mg13  1  0.096199  0.025284  0.354135  1
  Mg  Mg14  1  0.596199  0.025284  0.354135  1
  Mg  Mg15  1  0.532425  0.397959  0.331558  1
  Mg  Mg16  1  0.668696  0.670037  0.366529  1
  Mg  Mg17  1  0.032425  0.397959  0.331558  1
  Mg  Mg18  1  0.168696  0.670037  0.366529  1
  Mg  Mg19  1  0.418696  0.170037  0.366529  1
  Mg  Mg20  1  0.918696  0.170037  0.366529  1
  Mg  Mg21  1  0.846199  0.525284  0.354135  1
  Mg  Mg22  1  0.282425  0.897959  0.331558  1
  Mg  Mg23  1  0.346199  0.525284  0.354135  1
  Mg  Mg24  1  0.782425  0.897959  0.331558  1
  Mg  Mg25  1  0.804607  0.941417  0.399734  1
  Mg  Mg26  1  0.304607  0.941417  0.399734  1
  Mg  Mg27  1  0.233366  0.299167  0.386325  1
  Mg  Mg28  1  0.370808  0.573652  0.419741  1
  Mg  Mg29  1  0.733366  0.299167  0.386325  1
  Mg  Mg30  1  0.870808  0.573652  0.419741  1
  Mg  Mg31  1  0.120808  0.073652  0.419741  1
  Mg  Mg32  1  0.620808  0.073652  0.419741  1
  Mg  Mg33  1  0.554607  0.441417  0.399734  1
  Mg  Mg34  1  0.983366  0.799167  0.386325  1
  Mg  Mg35  1  0.054607  0.441417  0.399734  1
  Mg  Mg36  1  0.483366  0.799167  0.386325  1
  Mg  Mg37  1  0.507700  0.847060  0.452339  1
  Mg  Mg38  1  0.007700  0.847060  0.452339  1
  Mg  Mg39  1  0.941118  0.214050  0.434205  1
  Mg  Mg40  1  0.077153  0.485779  0.467924  1
  Mg  Mg41  1  0.441118  0.214050  0.434205  1
  Mg  Mg42  1  0.577153  0.485779  0.467924  1
  Mg  Mg43  1  0.827153  0.985779  0.467924  1
  Mg  Mg44  1  0.327153  0.985779  0.467924  1
  Mg  Mg45  1  0.257700  0.347060  0.452339  1
  Mg  Mg46  1  0.691118  0.714050  0.434205  1
  Mg  Mg47  1  0.757700  0.347060  0.452339  1
  Mg  Mg48  1  0.191118  0.714050  0.434205  1
  Mg  Mg49  1  0.213340  0.757844  0.501986  1
  Mg  Mg50  1  0.713340  0.757844  0.501986  1
  Mg  Mg51  1  0.644925  0.121177  0.485636  1
  Mg  Mg52  1  0.781755  0.394512  0.518336  1
  Mg  Mg53  1  0.144925  0.121177  0.485636  1
  Mg  Mg54  1  0.281755  0.394512  0.518336  1
  Mg  Mg55  1  0.531755  0.894512  0.518336  1
  Mg  Mg56  1  0.031755  0.894512  0.518336  1
  Mg  Mg57  1  0.963340  0.257844  0.501986  1
  Mg  Mg58  1  0.394925  0.621177  0.485636  1
  Mg  Mg59  1  0.463340  0.257844  0.501986  1
  Mg  Mg60  1  0.894925  0.621177  0.485636  1
  Mg  Mg61  1  0.918981  0.668628  0.551633  1
  Mg  Mg62  1  0.418981  0.668628  0.551633  1
  Mg  Mg63  1  0.349527  0.029910  0.536048  1
  Mg  Mg64  1  0.485562  0.301639  0.569766  1
  Mg  Mg65  1  0.849527  0.029910  0.536048  1
  Mg  Mg66  1  0.985562  0.301639  0.569766  1
  Mg  Mg67  1  0.235562  0.801639  0.569766  1
  Mg  Mg68  1  0.735562  0.801639  0.569766  1
  Mg  Mg69  1  0.668981  0.168628  0.551633  1
  Mg  Mg70  1  0.099527  0.529910  0.536048  1
  Mg  Mg71  1  0.168981  0.168628  0.551633  1
  Mg  Mg72  1  0.599527  0.529910  0.536048  1
  Mg  Mg73  1  0.622073  0.574271  0.604238  1
  Mg  Mg74  1  0.122073  0.574271  0.604238  1
  Mg  Mg75  1  0.055872  0.942037  0.584231  1
  Mg  Mg76  1  0.193314  0.216522  0.617647  1
  Mg  Mg77  1  0.555872  0.942037  0.584231  1
  Mg  Mg78  1  0.693314  0.216522  0.617647  1
  Mg  Mg79  1  0.943314  0.716522  0.617647  1
  Mg  Mg80  1  0.443314  0.716522  0.617647  1
  Mg  Mg81  1  0.372073  0.074271  0.604238  1
  Mg  Mg82  1  0.805872  0.442037  0.584231  1
  Mg  Mg83  1  0.872073  0.074271  0.604238  1
  Mg  Mg84  1  0.305872  0.442037  0.584231  1
  Mg  Mg85  1  0.330481  0.490405  0.649837  1
  Mg  Mg86  1  0.830481  0.490405  0.649837  1
  Mg  Mg87  1  0.757985  0.845651  0.637443  1
  Mg  Mg88  1  0.894256  0.117729  0.672414  1
  Mg  Mg89  1  0.257985  0.845651  0.637443  1
  Mg  Mg90  1  0.394256  0.117729  0.672414  1
  Mg  Mg91  1  0.644256  0.617729  0.672414  1
  Mg  Mg92  1  0.144256  0.617729  0.672414  1
  Mg  Mg93  1  0.080481  0.990405  0.649837  1
  Mg  Mg94  1  0.507985  0.345651  0.637443  1
  Mg  Mg95  1  0.580481  0.990405  0.649837  1
  Mg  Mg96  1  0.007985  0.345651  0.637443  1
  Mg  Mg97  1  0.028633  0.386222  0.703864  1
  Mg  Mg98  1  0.528633  0.386222  0.703864  1
  Mg  Mg99  1  0.468765  0.766614  0.682782  1
  Mg  Mg100  1  0.603858  0.036531  0.715095  1
  Mg  Mg101  1  0.968765  0.766614  0.682782  1
  Mg  Mg102  1  0.103858  0.036531  0.715095  1
  Mg  Mg103  1  0.353858  0.536531  0.715095  1
  Mg  Mg104  1  0.853858  0.536531  0.715095  1
  Mg  Mg105  1  0.778633  0.886222  0.703864  1
  Mg  Mg106  1  0.218765  0.266614  0.682782  1
  Mg  Mg107  1  0.278633  0.886222  0.703864  1
  Mg  Mg108  1  0.718765  0.266614  0.682782  1
