# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16807738
_cell_length_b   22.34837483
_cell_length_c   45.87068409
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.07374128
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg64
_cell_volume   3239.50226284
_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  0.094975  0.248277  0.312131  1
  Mg  Mg2  1  0.354904  0.768086  0.285031  1
  Mg  Mg3  1  0.286692  0.631520  0.300124  1
  Mg  Mg4  1  0.025828  0.109760  0.327632  1
  Mg  Mg5  1  0.724912  0.508029  0.298005  1
  Mg  Mg6  1  0.463981  0.986074  0.325666  1
  Mg  Mg7  1  0.163426  0.385220  0.296157  1
  Mg  Mg8  1  0.901984  0.862159  0.322586  1
  Mg  Mg9  1  0.571705  0.201637  0.366337  1
  Mg  Mg10  1  0.832807  0.723837  0.338839  1
  Mg  Mg11  1  0.763727  0.585640  0.354416  1
  Mg  Mg12  1  0.502658  0.063463  0.382057  1
  Mg  Mg13  1  0.202158  0.462560  0.352309  1
  Mg  Mg14  1  0.941013  0.940191  0.379816  1
  Mg  Mg15  1  0.640764  0.339862  0.350528  1
  Mg  Mg16  1  0.379438  0.817092  0.377337  1
  Mg  Mg17  1  0.048708  0.155654  0.421799  1
  Mg  Mg18  1  0.309978  0.678200  0.394057  1
  Mg  Mg19  1  0.240976  0.540166  0.410220  1
  Mg  Mg20  1  0.979665  0.017507  0.437787  1
  Mg  Mg21  1  0.679421  0.417102  0.408123  1
  Mg  Mg22  1  0.418029  0.894263  0.435538  1
  Mg  Mg23  1  0.117767  0.293838  0.405821  1
  Mg  Mg24  1  0.856426  0.771104  0.433299  1
  Mg  Mg25  1  0.525889  0.110029  0.477654  1
  Mg  Mg26  1  0.787188  0.632640  0.449974  1
  Mg  Mg27  1  0.718163  0.494561  0.466201  1
  Mg  Mg28  1  0.456837  0.971867  0.493699  1
  Mg  Mg29  1  0.156542  0.371361  0.463947  1
  Mg  Mg30  1  0.895225  0.848678  0.491477  1
  Mg  Mg31  1  0.594938  0.248188  0.461639  1
  Mg  Mg32  1  0.333605  0.725487  0.489319  1
  Mg  Mg33  1  0.003091  0.064446  0.533522  1
  Mg  Mg34  1  0.264360  0.587007  0.505962  1
  Mg  Mg35  1  0.195348  0.448952  0.522128  1
  Mg  Mg36  1  0.934060  0.926325  0.549623  1
  Mg  Mg37  1  0.633768  0.325829  0.519869  1
  Mg  Mg38  1  0.372417  0.803081  0.547412  1
  Mg  Mg39  1  0.072150  0.202623  0.517510  1
  Mg  Mg40  1  0.810764  0.679826  0.545252  1
  Mg  Mg41  1  0.480315  0.018904  0.589404  1
  Mg  Mg42  1  0.741510  0.541338  0.562044  1
  Mg  Mg43  1  0.672630  0.403534  0.578099  1
  Mg  Mg44  1  0.411204  0.880622  0.605442  1
  Mg  Mg45  1  0.110975  0.280262  0.575730  1
  Mg  Mg46  1  0.849519  0.757299  0.603262  1
  Mg  Mg47  1  0.549313  0.156962  0.573362  1
  Mg  Mg48  1  0.287964  0.634248  0.601181  1
  Mg  Mg49  1  0.957308  0.972904  0.644825  1
  Mg  Mg50  1  0.218644  0.495645  0.618276  1
  Mg  Mg51  1  0.149654  0.357611  0.633623  1
  Mg  Mg52  1  0.888303  0.834776  0.660776  1
  Mg  Mg53  1  0.587950  0.234241  0.631298  1
  Mg  Mg54  1  0.326912  0.712087  0.659109  1
  Mg  Mg55  1  0.026396  0.111156  0.629143  1
  Mg  Mg56  1  0.765436  0.589215  0.656742  1
  Mg  Mg57  1  0.434206  0.926593  0.699071  1
  Mg  Mg58  1  0.695990  0.450393  0.673475  1
  Mg  Mg59  1  0.626052  0.310381  0.687485  1
  Mg  Mg60  1  0.366033  0.790186  0.715236  1
  Mg  Mg61  1  0.064771  0.187933  0.685568  1
  Mg  Mg62  1  0.804774  0.667836  0.713428  1
  Mg  Mg63  1  0.503112  0.064638  0.683525  1
  Mg  Mg64  1  0.244247  0.546901  0.710620  1
