# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17461521
_cell_length_b   20.96598977
_cell_length_c   48.90308698
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.34589434
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg64
_cell_volume   3245.57938272
_cell_formula_units_Z   64
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  0.426128  0.912666  0.285519  1
  Mg  Mg2  1  0.671022  0.402335  0.312174  1
  Mg  Mg3  1  0.112979  0.286265  0.287736  1
  Mg  Mg4  1  0.359710  0.779727  0.314508  1
  Mg  Mg5  1  0.549501  0.159341  0.298461  1
  Mg  Mg6  1  0.795379  0.651054  0.326192  1
  Mg  Mg7  1  0.984741  0.029848  0.309224  1
  Mg  Mg8  1  0.230470  0.521238  0.336824  1
  Mg  Mg9  1  0.917723  0.895799  0.339383  1
  Mg  Mg10  1  0.163343  0.386995  0.366518  1
  Mg  Mg11  1  0.604673  0.269662  0.341589  1
  Mg  Mg12  1  0.850521  0.761355  0.368952  1
  Mg  Mg13  1  0.040476  0.141287  0.352667  1
  Mg  Mg14  1  0.286164  0.632636  0.380437  1
  Mg  Mg15  1  0.476226  0.012799  0.363978  1
  Mg  Mg16  1  0.721909  0.504130  0.391728  1
  Mg  Mg17  1  0.408913  0.878169  0.394634  1
  Mg  Mg18  1  0.654703  0.369725  0.422235  1
  Mg  Mg19  1  0.096109  0.252540  0.396888  1
  Mg  Mg20  1  0.341713  0.743747  0.424612  1
  Mg  Mg21  1  0.531764  0.123862  0.408347  1
  Mg  Mg22  1  0.777417  0.615152  0.436186  1
  Mg  Mg23  1  0.967455  0.995254  0.419918  1
  Mg  Mg24  1  0.213185  0.486692  0.447734  1
  Mg  Mg25  1  0.900208  0.860757  0.450451  1
  Mg  Mg26  1  0.145972  0.352271  0.478132  1
  Mg  Mg27  1  0.587422  0.235172  0.452647  1
  Mg  Mg28  1  0.833076  0.726475  0.480510  1
  Mg  Mg29  1  0.023089  0.106514  0.464236  1
  Mg  Mg30  1  0.268802  0.597926  0.492100  1
  Mg  Mg31  1  0.458775  0.977894  0.475876  1
  Mg  Mg32  1  0.704513  0.469355  0.503668  1
  Mg  Mg33  1  0.391570  0.843483  0.506389  1
  Mg  Mg34  1  0.637269  0.334870  0.534020  1
  Mg  Mg35  1  0.078730  0.217791  0.508514  1
  Mg  Mg36  1  0.324468  0.709259  0.536425  1
  Mg  Mg37  1  0.514425  0.089189  0.520140  1
  Mg  Mg38  1  0.760179  0.580682  0.548005  1
  Mg  Mg39  1  0.950137  0.960619  0.531793  1
  Mg  Mg40  1  0.195825  0.451981  0.559521  1
  Mg  Mg41  1  0.882930  0.826206  0.562413  1
  Mg  Mg42  1  0.128534  0.317407  0.589895  1
  Mg  Mg43  1  0.570031  0.200400  0.564438  1
  Mg  Mg44  1  0.815888  0.692096  0.592328  1
  Mg  Mg45  1  0.005782  0.071907  0.576057  1
  Mg  Mg46  1  0.251517  0.563356  0.603847  1
  Mg  Mg47  1  0.441480  0.943308  0.587622  1
  Mg  Mg48  1  0.687144  0.434622  0.615255  1
  Mg  Mg49  1  0.374234  0.808823  0.618523  1
  Mg  Mg50  1  0.620040  0.300425  0.645602  1
  Mg  Mg51  1  0.061368  0.183080  0.620424  1
  Mg  Mg52  1  0.307032  0.674379  0.647889  1
  Mg  Mg53  1  0.497102  0.054555  0.631768  1
  Mg  Mg54  1  0.742722  0.545760  0.659446  1
  Mg  Mg55  1  0.932824  0.926002  0.643022  1
  Mg  Mg56  1  0.178646  0.417629  0.670655  1
  Mg  Mg57  1  0.865599  0.791560  0.673705  1
  Mg  Mg58  1  0.112283  0.284927  0.699963  1
  Mg  Mg59  1  0.553100  0.166552  0.675253  1
  Mg  Mg60  1  0.797205  0.654681  0.702120  1
  Mg  Mg61  1  0.988543  0.037439  0.685912  1
  Mg  Mg62  1  0.233451  0.527211  0.713841  1
  Mg  Mg63  1  0.425320  0.911009  0.696696  1
  Mg  Mg64  1  0.670090  0.400523  0.724576  1
