# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38127768
_cell_length_b   10.83788895
_cell_length_c   48.02605710
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.18055591
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg84
_cell_volume   4355.74430981
_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  0.311172  0.627268  0.285576  1
  Mg  Mg2  1  0.662421  0.592359  0.304483  1
  Mg  Mg3  1  0.011928  0.566086  0.324612  1
  Mg  Mg4  1  0.452304  0.813299  0.328461  1
  Mg  Mg5  1  0.735251  0.870259  0.287366  1
  Mg  Mg6  1  0.095002  0.840692  0.305999  1
  Mg  Mg7  1  0.336287  0.075906  0.313564  1
  Mg  Mg8  1  0.688192  0.052597  0.336606  1
  Mg  Mg9  1  0.970485  0.111967  0.295011  1
  Mg  Mg10  1  0.573625  0.317967  0.321963  1
  Mg  Mg11  1  0.925128  0.294638  0.344096  1
  Mg  Mg12  1  0.215622  0.347249  0.302222  1
  Mg  Mg13  1  0.367981  0.538451  0.346260  1
  Mg  Mg14  1  0.720629  0.512461  0.366859  1
  Mg  Mg15  1  0.077785  0.484244  0.387207  1
  Mg  Mg16  1  0.520342  0.731232  0.389609  1
  Mg  Mg17  1  0.808863  0.786464  0.348294  1
  Mg  Mg18  1  0.163482  0.758662  0.368309  1
  Mg  Mg19  1  0.397990  0.998271  0.376989  1
  Mg  Mg20  1  0.754792  0.970049  0.397990  1
  Mg  Mg21  1  0.044561  0.025656  0.355796  1
  Mg  Mg22  1  0.633058  0.237349  0.385245  1
  Mg  Mg23  1  0.988550  0.208696  0.406079  1
  Mg  Mg24  1  0.279753  0.263428  0.363841  1
  Mg  Mg25  1  0.431757  0.455408  0.408350  1
  Mg  Mg26  1  0.787686  0.428145  0.429183  1
  Mg  Mg27  1  0.142278  0.400453  0.450017  1
  Mg  Mg28  1  0.587163  0.647696  0.452075  1
  Mg  Mg29  1  0.876415  0.703209  0.410357  1
  Mg  Mg30  1  0.231746  0.675764  0.431050  1
  Mg  Mg31  1  0.464717  0.914655  0.439608  1
  Mg  Mg32  1  0.819903  0.886575  0.460604  1
  Mg  Mg33  1  0.109352  0.942085  0.418604  1
  Mg  Mg34  1  0.697768  0.153291  0.448035  1
  Mg  Mg35  1  0.052666  0.125313  0.468960  1
  Mg  Mg36  1  0.342604  0.181058  0.427078  1
  Mg  Mg37  1  0.497648  0.372559  0.471012  1
  Mg  Mg38  1  0.852703  0.344820  0.491928  1
  Mg  Mg39  1  0.207770  0.317130  0.512774  1
  Mg  Mg40  1  0.652715  0.564473  0.514794  1
  Mg  Mg41  1  0.942503  0.620041  0.472960  1
  Mg  Mg42  1  0.297599  0.592262  0.493781  1
  Mg  Mg43  1  0.530273  0.831022  0.502362  1
  Mg  Mg44  1  0.885383  0.803177  0.523279  1
  Mg  Mg45  1  0.175084  0.858862  0.481373  1
  Mg  Mg46  1  0.762920  0.069837  0.510860  1
  Mg  Mg47  1  0.118028  0.042051  0.531689  1
  Mg  Mg48  1  0.407810  0.097580  0.489926  1
  Mg  Mg49  1  0.562968  0.289398  0.533776  1
  Mg  Mg50  1  0.918158  0.261601  0.554722  1
  Mg  Mg51  1  0.272982  0.233866  0.575526  1
  Mg  Mg52  1  0.717614  0.481248  0.577645  1
  Mg  Mg53  1  0.007768  0.536631  0.535665  1
  Mg  Mg54  1  0.362547  0.508856  0.556587  1
  Mg  Mg55  1  0.595731  0.747434  0.565155  1
  Mg  Mg56  1  0.951136  0.719640  0.585973  1
  Mg  Mg57  1  0.240579  0.775474  0.544041  1
  Mg  Mg58  1  0.828791  0.986252  0.573551  1
  Mg  Mg59  1  0.184706  0.958942  0.594198  1
  Mg  Mg60  1  0.473651  0.014260  0.552678  1
  Mg  Mg61  1  0.628988  0.206051  0.596503  1
  Mg  Mg62  1  0.983242  0.177424  0.617470  1
  Mg  Mg63  1  0.340494  0.149626  0.637865  1
  Mg  Mg64  1  0.779908  0.398317  0.640552  1
  Mg  Mg65  1  0.071689  0.453404  0.598564  1
  Mg  Mg66  1  0.427217  0.424884  0.619246  1
  Mg  Mg67  1  0.662216  0.664757  0.627990  1
  Mg  Mg68  1  0.015511  0.636577  0.648846  1
  Mg  Mg69  1  0.305577  0.692102  0.606667  1
  Mg  Mg70  1  0.898067  0.902673  0.635857  1
  Mg  Mg71  1  0.251505  0.875935  0.656156  1
  Mg  Mg72  1  0.540522  0.930506  0.615336  1
  Mg  Mg73  1  0.694248  0.122620  0.658898  1
  Mg  Mg74  1  0.050393  0.095378  0.680293  1
  Mg  Mg75  1  0.404230  0.068735  0.700262  1
  Mg  Mg76  1  0.843110  0.313032  0.701823  1
  Mg  Mg77  1  0.134374  0.367725  0.660309  1
  Mg  Mg78  1  0.483039  0.346144  0.682236  1
  Mg  Mg79  1  0.723453  0.583299  0.690778  1
  Mg  Mg80  1  0.086894  0.548360  0.709410  1
  Mg  Mg81  1  0.371963  0.610174  0.667830  1
  Mg  Mg82  1  0.962427  0.821744  0.698505  1
  Mg  Mg83  1  0.317953  0.788123  0.716313  1
  Mg  Mg84  1  0.610630  0.851015  0.677282  1
