# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50763003
_cell_length_b   15.81515953
_cell_length_c   45.67655093
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.00290750
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg78
_cell_volume   3918.13333979
_cell_formula_units_Z   78
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  0.417084  0.168139  0.288589  1
  Mg  Mg2  1  0.580322  0.494633  0.300041  1
  Mg  Mg3  1  0.742771  0.826616  0.310566  1
  Mg  Mg4  1  0.673521  0.006740  0.283118  1
  Mg  Mg5  1  0.832792  0.330808  0.294426  1
  Mg  Mg6  1  0.991875  0.658940  0.305824  1
  Mg  Mg7  1  0.912163  0.156501  0.321849  1
  Mg  Mg8  1  0.074264  0.485417  0.333213  1
  Mg  Mg9  1  0.238684  0.815754  0.343849  1
  Mg  Mg10  1  0.165624  0.991162  0.315616  1
  Mg  Mg11  1  0.329212  0.321098  0.327638  1
  Mg  Mg12  1  0.491624  0.650237  0.338732  1
  Mg  Mg13  1  0.407269  0.145065  0.355485  1
  Mg  Mg14  1  0.571184  0.475659  0.367221  1
  Mg  Mg15  1  0.734919  0.805282  0.378220  1
  Mg  Mg16  1  0.660183  0.980879  0.349954  1
  Mg  Mg17  1  0.822334  0.310526  0.361544  1
  Mg  Mg18  1  0.986456  0.640566  0.372884  1
  Mg  Mg19  1  0.902341  0.135207  0.389985  1
  Mg  Mg20  1  0.066040  0.465224  0.401519  1
  Mg  Mg21  1  0.230415  0.795063  0.412774  1
  Mg  Mg22  1  0.153499  0.970106  0.383931  1
  Mg  Mg23  1  0.317717  0.300083  0.395772  1
  Mg  Mg24  1  0.481727  0.630180  0.407216  1
  Mg  Mg25  1  0.396678  0.124660  0.424638  1
  Mg  Mg26  1  0.560806  0.454754  0.436277  1
  Mg  Mg27  1  0.725490  0.784558  0.447684  1
  Mg  Mg28  1  0.648160  0.959740  0.418862  1
  Mg  Mg29  1  0.812572  0.289741  0.430545  1
  Mg  Mg30  1  0.976905  0.619710  0.442050  1
  Mg  Mg31  1  0.891474  0.114368  0.459403  1
  Mg  Mg32  1  0.055793  0.444391  0.470966  1
  Mg  Mg33  1  0.220561  0.774303  0.482457  1
  Mg  Mg34  1  0.142739  0.949415  0.453516  1
  Mg  Mg35  1  0.307393  0.279356  0.465193  1
  Mg  Mg36  1  0.471758  0.609359  0.476719  1
  Mg  Mg37  1  0.386251  0.104045  0.494090  1
  Mg  Mg38  1  0.550695  0.434068  0.505661  1
  Mg  Mg39  1  0.715418  0.763980  0.517219  1
  Mg  Mg40  1  0.637511  0.939133  0.488354  1
  Mg  Mg41  1  0.802235  0.269045  0.499911  1
  Mg  Mg42  1  0.966679  0.599067  0.511483  1
  Mg  Mg43  1  0.881172  0.093753  0.528853  1
  Mg  Mg44  1  0.045537  0.423756  0.540379  1
  Mg  Mg45  1  0.210190  0.753697  0.552056  1
  Mg  Mg46  1  0.132368  0.928809  0.523116  1
  Mg  Mg47  1  0.297136  0.258722  0.534606  1
  Mg  Mg48  1  0.461456  0.588744  0.546170  1
  Mg  Mg49  1  0.376025  0.083403  0.563523  1
  Mg  Mg50  1  0.540358  0.413372  0.575027  1
  Mg  Mg51  1  0.704770  0.743373  0.586710  1
  Mg  Mg52  1  0.627440  0.918554  0.557889  1
  Mg  Mg53  1  0.792123  0.248358  0.569295  1
  Mg  Mg54  1  0.956252  0.578452  0.580934  1
  Mg  Mg55  1  0.871203  0.072932  0.598356  1
  Mg  Mg56  1  0.035213  0.403030  0.609801  1
  Mg  Mg57  1  0.199431  0.733006  0.621642  1
  Mg  Mg58  1  0.122515  0.908049  0.592798  1
  Mg  Mg59  1  0.286889  0.237889  0.604053  1
  Mg  Mg60  1  0.450589  0.567906  0.615588  1
  Mg  Mg61  1  0.366473  0.062546  0.632688  1
  Mg  Mg62  1  0.530596  0.392586  0.644029  1
  Mg  Mg63  1  0.692746  0.722233  0.655619  1
  Mg  Mg64  1  0.618011  0.897831  0.627353  1
  Mg  Mg65  1  0.781746  0.227453  0.638351  1
  Mg  Mg66  1  0.945660  0.558047  0.650087  1
  Mg  Mg67  1  0.861306  0.052875  0.666840  1
  Mg  Mg68  1  0.023717  0.382015  0.677935  1
  Mg  Mg69  1  0.187306  0.711951  0.689957  1
  Mg  Mg70  1  0.114246  0.887358  0.661724  1
  Mg  Mg71  1  0.278666  0.217695  0.672359  1
  Mg  Mg72  1  0.440766  0.546611  0.683724  1
  Mg  Mg73  1  0.361054  0.044173  0.699748  1
  Mg  Mg74  1  0.520138  0.372304  0.711147  1
  Mg  Mg75  1  0.679409  0.696372  0.722454  1
  Mg  Mg76  1  0.610158  0.876496  0.695006  1
  Mg  Mg77  1  0.772608  0.208480  0.705532  1
  Mg  Mg78  1  0.935845  0.534973  0.716984  1
