# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40640132
_cell_length_b   10.82779929
_cell_length_c   47.58752490
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.17611469
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg84
_cell_volume   4324.8975243
_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  0.306770  0.624122  0.288579  1
  Mg  Mg2  1  0.652884  0.598701  0.309088  1
  Mg  Mg3  1  0.010067  0.568363  0.327822  1
  Mg  Mg4  1  0.455159  0.816197  0.330301  1
  Mg  Mg5  1  0.748408  0.869744  0.290333  1
  Mg  Mg6  1  0.099675  0.841859  0.309587  1
  Mg  Mg7  1  0.330413  0.080511  0.318293  1
  Mg  Mg8  1  0.687328  0.054093  0.338590  1
  Mg  Mg9  1  0.979282  0.107601  0.298323  1
  Mg  Mg10  1  0.562013  0.321621  0.326873  1
  Mg  Mg11  1  0.919149  0.293620  0.346731  1
  Mg  Mg12  1  0.211322  0.348283  0.306457  1
  Mg  Mg13  1  0.363649  0.540071  0.349118  1
  Mg  Mg14  1  0.719258  0.513124  0.369737  1
  Mg  Mg15  1  0.073729  0.485119  0.390011  1
  Mg  Mg16  1  0.520236  0.732825  0.391982  1
  Mg  Mg17  1  0.810891  0.788634  0.350936  1
  Mg  Mg18  1  0.164933  0.760056  0.370903  1
  Mg  Mg19  1  0.396168  0.999314  0.379818  1
  Mg  Mg20  1  0.751284  0.971644  0.400691  1
  Mg  Mg21  1  0.041408  0.026201  0.358920  1
  Mg  Mg22  1  0.627966  0.237684  0.388308  1
  Mg  Mg23  1  0.982839  0.209788  0.409078  1
  Mg  Mg24  1  0.272630  0.264608  0.367472  1
  Mg  Mg25  1  0.429247  0.456802  0.411228  1
  Mg  Mg26  1  0.784500  0.429178  0.432205  1
  Mg  Mg27  1  0.139354  0.401704  0.452987  1
  Mg  Mg28  1  0.585696  0.649257  0.454869  1
  Mg  Mg29  1  0.875632  0.704794  0.413086  1
  Mg  Mg30  1  0.230528  0.676997  0.433794  1
  Mg  Mg31  1  0.461934  0.915553  0.442589  1
  Mg  Mg32  1  0.817077  0.887916  0.463572  1
  Mg  Mg33  1  0.106694  0.943238  0.421549  1
  Mg  Mg34  1  0.693424  0.154227  0.451276  1
  Mg  Mg35  1  0.048537  0.126485  0.472134  1
  Mg  Mg36  1  0.338273  0.181926  0.430292  1
  Mg  Mg37  1  0.494760  0.373941  0.474145  1
  Mg  Mg38  1  0.849931  0.346255  0.495115  1
  Mg  Mg39  1  0.204947  0.318691  0.515966  1
  Mg  Mg40  1  0.651124  0.566370  0.517819  1
  Mg  Mg41  1  0.940911  0.621565  0.475908  1
  Mg  Mg42  1  0.295909  0.593983  0.496770  1
  Mg  Mg43  1  0.527451  0.832534  0.505534  1
  Mg  Mg44  1  0.882599  0.804920  0.526493  1
  Mg  Mg45  1  0.172275  0.860179  0.484504  1
  Mg  Mg46  1  0.758938  0.071144  0.514203  1
  Mg  Mg47  1  0.114004  0.043576  0.535089  1
  Mg  Mg48  1  0.403808  0.098721  0.493243  1
  Mg  Mg49  1  0.560281  0.290910  0.537100  1
  Mg  Mg50  1  0.915430  0.263273  0.558085  1
  Mg  Mg51  1  0.270510  0.235781  0.578926  1
  Mg  Mg52  1  0.716475  0.483291  0.580757  1
  Mg  Mg53  1  0.006337  0.538511  0.538824  1
  Mg  Mg54  1  0.361392  0.510920  0.559712  1
  Mg  Mg55  1  0.592953  0.749604  0.568506  1
  Mg  Mg56  1  0.948166  0.721521  0.589365  1
  Mg  Mg57  1  0.237794  0.777174  0.547443  1
  Mg  Mg58  1  0.824328  0.988182  0.577111  1
  Mg  Mg59  1  0.179324  0.960354  0.597880  1
  Mg  Mg60  1  0.469358  0.015805  0.556217  1
  Mg  Mg61  1  0.626049  0.207724  0.600159  1
  Mg  Mg62  1  0.980828  0.179742  0.621049  1
  Mg  Mg63  1  0.336046  0.151933  0.641312  1
  Mg  Mg64  1  0.781559  0.400254  0.643348  1
  Mg  Mg65  1  0.071971  0.454992  0.601833  1
  Mg  Mg66  1  0.426848  0.427908  0.622664  1
  Mg  Mg67  1  0.658470  0.666415  0.631377  1
  Mg  Mg68  1  0.012979  0.638083  0.651862  1
  Mg  Mg69  1  0.303514  0.693524  0.610341  1
  Mg  Mg70  1  0.889891  0.904546  0.639594  1
  Mg  Mg71  1  0.243957  0.876709  0.659898  1
  Mg  Mg72  1  0.534941  0.932476  0.619165  1
  Mg  Mg73  1  0.691300  0.124484  0.662493  1
  Mg  Mg74  1  0.047016  0.096600  0.682685  1
  Mg  Mg75  1  0.398643  0.066518  0.702049  1
  Mg  Mg76  1  0.844829  0.320179  0.703945  1
  Mg  Mg77  1  0.135727  0.371664  0.664091  1
  Mg  Mg78  1  0.490805  0.344448  0.683919  1
  Mg  Mg79  1  0.722892  0.583305  0.692556  1
  Mg  Mg80  1  0.074002  0.556862  0.712637  1
  Mg  Mg81  1  0.366759  0.612053  0.672541  1
  Mg  Mg82  1  0.955625  0.820122  0.700357  1
  Mg  Mg83  1  0.300770  0.795381  0.720646  1
  Mg  Mg84  1  0.598380  0.849092  0.680945  1
