# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04197111
_cell_length_b   11.22181354
_cell_length_c   48.94850084
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg54
_cell_volume   2699.38355926
_cell_formula_units_Z   54
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  0.067753  0.710888  0.282170  1
  Mg  Mg2  1  0.223496  0.023664  0.297131  1
  Mg  Mg3  1  0.381966  0.341802  0.312774  1
  Mg  Mg4  1  0.648770  0.873672  0.288071  1
  Mg  Mg5  1  0.802461  0.182175  0.305392  1
  Mg  Mg6  1  0.958807  0.495907  0.322707  1
  Mg  Mg7  1  0.539365  0.657558  0.327603  1
  Mg  Mg8  1  0.696617  0.972977  0.346168  1
  Mg  Mg9  1  0.853119  0.286725  0.363347  1
  Mg  Mg10  1  0.118377  0.815918  0.339025  1
  Mg  Mg11  1  0.275476  0.131122  0.354403  1
  Mg  Mg12  1  0.433046  0.446938  0.370650  1
  Mg  Mg13  1  0.011132  0.603307  0.379798  1
  Mg  Mg14  1  0.169337  0.920205  0.396786  1
  Mg  Mg15  1  0.326778  0.235602  0.412915  1
  Mg  Mg16  1  0.589635  0.760647  0.387139  1
  Mg  Mg17  1  0.747615  0.077016  0.404790  1
  Mg  Mg18  1  0.905391  0.393053  0.421495  1
  Mg  Mg19  1  0.484122  0.550758  0.429470  1
  Mg  Mg20  1  0.641384  0.865754  0.446153  1
  Mg  Mg21  1  0.799410  0.182227  0.463152  1
  Mg  Mg22  1  0.062726  0.708183  0.438175  1
  Mg  Mg23  1  0.220694  0.024566  0.455038  1
  Mg  Mg24  1  0.378161  0.339949  0.471487  1
  Mg  Mg25  1  0.956855  0.497553  0.479912  1
  Mg  Mg26  1  0.114445  0.813174  0.496718  1
  Mg  Mg27  1  0.272212  0.129159  0.513468  1
  Mg  Mg28  1  0.535533  0.655142  0.488049  1
  Mg  Mg29  1  0.693300  0.971127  0.504799  1
  Mg  Mg30  1  0.850891  0.286748  0.521605  1
  Mg  Mg31  1  0.429584  0.444351  0.530030  1
  Mg  Mg32  1  0.587051  0.759735  0.546479  1
  Mg  Mg33  1  0.745019  0.076118  0.563342  1
  Mg  Mg34  1  0.008336  0.602073  0.538365  1
  Mg  Mg35  1  0.166361  0.918547  0.555364  1
  Mg  Mg36  1  0.323623  0.233542  0.572047  1
  Mg  Mg37  1  0.902355  0.391247  0.580022  1
  Mg  Mg38  1  0.060130  0.707284  0.596727  1
  Mg  Mg39  1  0.218110  0.023653  0.614378  1
  Mg  Mg40  1  0.480967  0.548699  0.588602  1
  Mg  Mg41  1  0.638408  0.864096  0.604731  1
  Mg  Mg42  1  0.796613  0.180994  0.621719  1
  Mg  Mg43  1  0.374699  0.337363  0.630867  1
  Mg  Mg44  1  0.532270  0.653179  0.647114  1
  Mg  Mg45  1  0.689368  0.968383  0.662492  1
  Mg  Mg46  1  0.954626  0.497575  0.638170  1
  Mg  Mg47  1  0.111129  0.811324  0.655349  1
  Mg  Mg48  1  0.268381  0.126743  0.673914  1
  Mg  Mg49  1  0.848938  0.288394  0.678810  1
  Mg  Mg50  1  0.005285  0.602126  0.696125  1
  Mg  Mg51  1  0.158975  0.910629  0.713446  1
  Mg  Mg52  1  0.425779  0.442499  0.688743  1
  Mg  Mg53  1  0.584249  0.760637  0.704386  1
  Mg  Mg54  1  0.739993  0.073413  0.719347  1
