# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.35379407
_cell_length_b   8.40290077
_cell_length_c   49.72417232
_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   Mg84
_cell_volume   4326.09767398
_cell_formula_units_Z   84
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  1.000649  0.316813  0.310484  1
  Mg  Mg2  1  0.001038  0.959357  0.330749  1
  Mg  Mg3  1  0.004068  0.676045  0.290857  1
  Mg  Mg4  1  0.251021  0.174348  0.337329  1
  Mg  Mg5  1  0.251021  0.884793  0.297341  1
  Mg  Mg6  1  0.251021  0.531400  0.317074  1
  Mg  Mg7  1  0.501393  0.316813  0.310484  1
  Mg  Mg8  1  0.501003  0.959357  0.330749  1
  Mg  Mg9  1  0.497973  0.676045  0.290857  1
  Mg  Mg10  1  0.751021  0.095580  0.304070  1
  Mg  Mg11  1  0.751021  0.742116  0.323884  1
  Mg  Mg12  1  0.751021  0.386856  0.343654  1
  Mg  Mg13  1  1.000624  0.245741  0.371681  1
  Mg  Mg14  1  1.000980  0.888392  0.392568  1
  Mg  Mg15  1  0.002063  0.602513  0.351377  1
  Mg  Mg16  1  0.251021  0.102691  0.399378  1
  Mg  Mg17  1  0.251021  0.816319  0.357941  1
  Mg  Mg18  1  0.251021  0.459354  0.378655  1
  Mg  Mg19  1  0.501417  0.245741  0.371681  1
  Mg  Mg20  1  0.501061  0.888392  0.392568  1
  Mg  Mg21  1  0.499979  0.602513  0.351377  1
  Mg  Mg22  1  0.751021  0.029985  0.364835  1
  Mg  Mg23  1  0.751021  0.673025  0.385482  1
  Mg  Mg24  1  0.751021  0.316418  0.406241  1
  Mg  Mg25  1  1.001010  0.173683  0.434457  1
  Mg  Mg26  1  0.001031  0.816434  0.455487  1
  Mg  Mg27  1  1.000983  0.530859  0.413658  1
  Mg  Mg28  1  0.251021  0.031051  0.462394  1
  Mg  Mg29  1  0.251021  0.745346  0.420555  1
  Mg  Mg30  1  0.251021  0.388052  0.441495  1
  Mg  Mg31  1  0.501032  0.173683  0.434457  1
  Mg  Mg32  1  0.501010  0.816434  0.455487  1
  Mg  Mg33  1  0.501058  0.530859  0.413658  1
  Mg  Mg34  1  0.751021  0.958737  0.427468  1
  Mg  Mg35  1  0.751021  0.601647  0.448431  1
  Mg  Mg36  1  0.751021  0.244617  0.469283  1
  Mg  Mg37  1  1.001020  0.102105  0.497390  1
  Mg  Mg38  1  1.001016  0.744919  0.518390  1
  Mg  Mg39  1  1.001020  0.459138  0.476515  1
  Mg  Mg40  1  0.251021  0.959511  0.525299  1
  Mg  Mg41  1  0.251021  0.673709  0.483456  1
  Mg  Mg42  1  0.251021  0.316596  0.504416  1
  Mg  Mg43  1  0.501022  0.102105  0.497390  1
  Mg  Mg44  1  0.501025  0.744919  0.518390  1
  Mg  Mg45  1  0.501021  0.459138  0.476515  1
  Mg  Mg46  1  0.751021  0.887369  0.490373  1
  Mg  Mg47  1  0.751021  0.530196  0.511352  1
  Mg  Mg48  1  0.751021  0.173161  0.532202  1
  Mg  Mg49  1  0.001031  0.030659  0.560318  1
  Mg  Mg50  1  0.001029  0.673354  0.581310  1
  Mg  Mg51  1  1.000998  0.387659  0.539442  1
  Mg  Mg52  1  0.251021  0.887867  0.588146  1
  Mg  Mg53  1  0.251021  0.602235  0.546355  1
  Mg  Mg54  1  0.251021  0.245102  0.567308  1
  Mg  Mg55  1  0.501010  0.030659  0.560318  1
  Mg  Mg56  1  0.501012  0.673354  0.581310  1
  Mg  Mg57  1  0.501043  0.387659  0.539442  1
  Mg  Mg58  1  0.751021  0.815835  0.553278  1
  Mg  Mg59  1  0.751021  0.458475  0.574292  1
  Mg  Mg60  1  0.751021  0.101534  0.595036  1
  Mg  Mg61  1  0.001384  0.959074  0.623207  1
  Mg  Mg62  1  0.001205  0.602245  0.643956  1
  Mg  Mg63  1  1.000988  0.315890  0.602502  1
  Mg  Mg64  1  0.251021  0.815795  0.650553  1
  Mg  Mg65  1  0.251021  0.530084  0.609260  1
  Mg  Mg66  1  0.251021  0.173329  0.630067  1
  Mg  Mg67  1  0.500657  0.959074  0.623207  1
  Mg  Mg68  1  0.500836  0.602245  0.643956  1
  Mg  Mg69  1  0.501053  0.315890  0.602502  1
  Mg  Mg70  1  0.751021  0.743948  0.616175  1
  Mg  Mg71  1  0.751021  0.387111  0.637103  1
  Mg  Mg72  1  0.751021  0.029476  0.657072  1
  Mg  Mg73  1  0.001338  0.888329  0.684774  1
  Mg  Mg74  1  0.999886  0.535843  0.704803  1
  Mg  Mg75  1  0.999930  0.245164  0.664856  1
  Mg  Mg76  1  0.251021  0.743424  0.710948  1
  Mg  Mg77  1  0.251021  0.460009  0.671277  1
  Mg  Mg78  1  0.251021  0.100474  0.690853  1
  Mg  Mg79  1  0.500703  0.888329  0.684774  1
  Mg  Mg80  1  0.502155  0.535843  0.704803  1
  Mg  Mg81  1  0.502112  0.245164  0.664856  1
  Mg  Mg82  1  0.751021  0.672604  0.677980  1
  Mg  Mg83  1  0.751021  0.315875  0.698317  1
  Mg  Mg84  1  0.751021  0.958210  0.717531  1
