# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16807685
_cell_length_b   22.34837607
_cell_length_c   45.87073916
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.92626186
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg64
_cell_volume   3239.50580085
_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  0.846760  0.248277  0.312130  1
  Mg  Mg2  1  0.586831  0.768086  0.285031  1
  Mg  Mg3  1  0.655043  0.631521  0.300123  1
  Mg  Mg4  1  0.915907  0.109761  0.327631  1
  Mg  Mg5  1  0.216823  0.508030  0.298004  1
  Mg  Mg6  1  0.477753  0.986075  0.325666  1
  Mg  Mg7  1  0.778310  0.385221  0.296157  1
  Mg  Mg8  1  0.039751  0.862159  0.322586  1
  Mg  Mg9  1  0.370030  0.201638  0.366336  1
  Mg  Mg10  1  0.108929  0.723838  0.338839  1
  Mg  Mg11  1  0.178008  0.585641  0.354416  1
  Mg  Mg12  1  0.439077  0.063464  0.382056  1
  Mg  Mg13  1  0.739578  0.462561  0.352309  1
  Mg  Mg14  1  1.000722  0.940192  0.379815  1
  Mg  Mg15  1  0.300971  0.339863  0.350527  1
  Mg  Mg16  1  0.562297  0.817093  0.377337  1
  Mg  Mg17  1  0.893027  0.155655  0.421798  1
  Mg  Mg18  1  0.631758  0.678201  0.394056  1
  Mg  Mg19  1  0.700759  0.540167  0.410219  1
  Mg  Mg20  1  0.962070  0.017508  0.437786  1
  Mg  Mg21  1  0.262314  0.417103  0.408122  1
  Mg  Mg22  1  0.523705  0.894263  0.435537  1
  Mg  Mg23  1  0.823968  0.293839  0.405820  1
  Mg  Mg24  1  0.085309  0.771104  0.433298  1
  Mg  Mg25  1  0.415846  0.110030  0.477653  1
  Mg  Mg26  1  0.154547  0.632640  0.449974  1
  Mg  Mg27  1  0.223573  0.494562  0.466201  1
  Mg  Mg28  1  0.484898  0.971868  0.493698  1
  Mg  Mg29  1  0.785193  0.371361  0.463947  1
  Mg  Mg30  1  0.046509  0.848679  0.491476  1
  Mg  Mg31  1  0.346797  0.248189  0.461638  1
  Mg  Mg32  1  0.608130  0.725488  0.489319  1
  Mg  Mg33  1  0.938643  0.064447  0.533521  1
  Mg  Mg34  1  0.677375  0.587008  0.505962  1
  Mg  Mg35  1  0.746387  0.448953  0.522127  1
  Mg  Mg36  1  0.007675  0.926326  0.549622  1
  Mg  Mg37  1  0.307966  0.325830  0.519868  1
  Mg  Mg38  1  0.569317  0.803082  0.547411  1
  Mg  Mg39  1  0.869585  0.202624  0.517509  1
  Mg  Mg40  1  0.130971  0.679827  0.545252  1
  Mg  Mg41  1  0.461420  0.018905  0.589404  1
  Mg  Mg42  1  0.200226  0.541339  0.562044  1
  Mg  Mg43  1  0.269104  0.403535  0.578098  1
  Mg  Mg44  1  0.530531  0.880623  0.605441  1
  Mg  Mg45  1  0.830759  0.280262  0.575729  1
  Mg  Mg46  1  0.092216  0.757300  0.603262  1
  Mg  Mg47  1  0.392421  0.156963  0.573361  1
  Mg  Mg48  1  0.653772  0.634249  0.601180  1
  Mg  Mg49  1  0.984427  0.972905  0.644824  1
  Mg  Mg50  1  0.723091  0.495645  0.618275  1
  Mg  Mg51  1  0.792080  0.357612  0.633623  1
  Mg  Mg52  1  0.053433  0.834776  0.660775  1
  Mg  Mg53  1  0.353783  0.234242  0.631297  1
  Mg  Mg54  1  0.614824  0.712088  0.659108  1
  Mg  Mg55  1  0.915338  0.111157  0.629142  1
  Mg  Mg56  1  0.176300  0.589216  0.656741  1
  Mg  Mg57  1  0.507529  0.926594  0.699071  1
  Mg  Mg58  1  0.245745  0.450394  0.673474  1
  Mg  Mg59  1  0.315682  0.310382  0.687484  1
  Mg  Mg60  1  0.575703  0.790187  0.715235  1
  Mg  Mg61  1  0.876963  0.187934  0.685567  1
  Mg  Mg62  1  0.136962  0.667837  0.713428  1
  Mg  Mg63  1  0.438622  0.064639  0.683524  1
  Mg  Mg64  1  0.697489  0.546902  0.710619  1
