# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.39464193
_cell_length_b   8.41526031
_cell_length_c   47.13289177
_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   4122.884554
_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  1.000005  0.354701  0.293842  1
  Mg  Mg2  1  1.001195  0.998424  0.316284  1
  Mg  Mg3  1  0.003103  0.713705  0.274135  1
  Mg  Mg4  1  0.251436  0.214389  0.323479  1
  Mg  Mg5  1  0.251436  0.926239  0.280358  1
  Mg  Mg6  1  0.251436  0.568718  0.301320  1
  Mg  Mg7  1  0.502867  0.354701  0.293842  1
  Mg  Mg8  1  0.501677  0.998424  0.316284  1
  Mg  Mg9  1  0.499770  0.713705  0.274135  1
  Mg  Mg10  1  0.751436  0.135760  0.287205  1
  Mg  Mg11  1  0.751436  0.778337  0.308261  1
  Mg  Mg12  1  0.751436  0.423978  0.330096  1
  Mg  Mg13  1  1.001084  0.283163  0.360501  1
  Mg  Mg14  1  0.001458  0.925886  0.382982  1
  Mg  Mg15  1  0.002140  0.639694  0.338817  1
  Mg  Mg16  1  0.251436  0.141561  0.390392  1
  Mg  Mg17  1  0.251436  0.855509  0.345875  1
  Mg  Mg18  1  0.251436  0.498297  0.368299  1
  Mg  Mg19  1  0.501788  0.283163  0.360501  1
  Mg  Mg20  1  0.501414  0.925886  0.382982  1
  Mg  Mg21  1  0.500733  0.639694  0.338817  1
  Mg  Mg22  1  0.751436  0.066439  0.353033  1
  Mg  Mg23  1  0.751436  0.709469  0.375224  1
  Mg  Mg24  1  0.751436  0.352767  0.397407  1
  Mg  Mg25  1  1.001425  0.211435  0.427489  1
  Mg  Mg26  1  0.001450  0.854252  0.449874  1
  Mg  Mg27  1  1.001416  0.568405  0.405371  1
  Mg  Mg28  1  0.251436  0.070082  0.457416  1
  Mg  Mg29  1  0.251436  0.784333  0.412813  1
  Mg  Mg30  1  0.251436  0.427046  0.435196  1
  Mg  Mg31  1  0.501447  0.211435  0.427489  1
  Mg  Mg32  1  0.501423  0.854252  0.449874  1
  Mg  Mg33  1  0.501457  0.568405  0.405371  1
  Mg  Mg34  1  0.751436  0.995456  0.419912  1
  Mg  Mg35  1  0.751436  0.638300  0.442223  1
  Mg  Mg36  1  0.751436  0.281258  0.464455  1
  Mg  Mg37  1  0.001453  0.139937  0.494449  1
  Mg  Mg38  1  0.001460  0.782744  0.516789  1
  Mg  Mg39  1  0.001441  0.496981  0.472221  1
  Mg  Mg40  1  0.251436  0.998696  0.524387  1
  Mg  Mg41  1  0.251436  0.712905  0.479765  1
  Mg  Mg42  1  0.251436  0.355700  0.502139  1
  Mg  Mg43  1  0.501420  0.139937  0.494449  1
  Mg  Mg44  1  0.501413  0.782744  0.516789  1
  Mg  Mg45  1  0.501432  0.496981  0.472221  1
  Mg  Mg46  1  0.751436  0.924023  0.486836  1
  Mg  Mg47  1  0.751436  0.566827  0.509170  1
  Mg  Mg48  1  0.751436  0.209776  0.531382  1
  Mg  Mg49  1  0.001492  0.068548  0.561393  1
  Mg  Mg50  1  0.001492  0.711257  0.583709  1
  Mg  Mg51  1  0.001453  0.425498  0.539168  1
  Mg  Mg52  1  0.251436  0.927369  0.591309  1
  Mg  Mg53  1  0.251436  0.641482  0.546701  1
  Mg  Mg54  1  0.251436  0.284377  0.569144  1
  Mg  Mg55  1  0.501380  0.068548  0.561393  1
  Mg  Mg56  1  0.501380  0.711257  0.583709  1
  Mg  Mg57  1  0.501420  0.425498  0.539168  1
  Mg  Mg58  1  0.751436  0.852506  0.553741  1
  Mg  Mg59  1  0.751436  0.495274  0.576113  1
  Mg  Mg60  1  0.751436  0.138514  0.598177  1
  Mg  Mg61  1  0.001776  0.997091  0.628315  1
  Mg  Mg62  1  0.001652  0.640462  0.650639  1
  Mg  Mg63  1  1.001435  0.354111  0.606233  1
  Mg  Mg64  1  0.251436  0.856720  0.658148  1
  Mg  Mg65  1  0.251436  0.570237  0.613633  1
  Mg  Mg66  1  0.251436  0.212955  0.636204  1
  Mg  Mg67  1  0.501097  0.997091  0.628315  1
  Mg  Mg68  1  0.501220  0.640462  0.650639  1
  Mg  Mg69  1  0.501437  0.354111  0.606233  1
  Mg  Mg70  1  0.751436  0.780644  0.620597  1
  Mg  Mg71  1  0.751436  0.424200  0.643129  1
  Mg  Mg72  1  0.751436  0.066547  0.664384  1
  Mg  Mg73  1  0.002228  0.927175  0.695345  1
  Mg  Mg74  1  1.001130  0.569452  0.716288  1
  Mg  Mg75  1  1.000528  0.281920  0.673320  1
  Mg  Mg76  1  0.251436  0.780467  0.723129  1
  Mg  Mg77  1  0.251436  0.498189  0.680295  1
  Mg  Mg78  1  0.251436  0.143430  0.702997  1
  Mg  Mg79  1  0.500644  0.927175  0.695345  1
  Mg  Mg80  1  0.501743  0.569452  0.716288  1
  Mg  Mg81  1  0.502345  0.281920  0.673320  1
  Mg  Mg82  1  0.751436  0.708853  0.687470  1
  Mg  Mg83  1  0.751436  0.352261  0.709624  1
  Mg  Mg84  1  0.751436  0.998110  0.728581  1
