# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17028819
_cell_length_b   13.34080015
_cell_length_c   47.21682283
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.84422548
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg40
_cell_volume   1982.76589849
_cell_formula_units_Z   40
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  0.532075  0.059381  0.289204  1
  Mg  Mg2  1  0.249621  0.494489  0.311731  1
  Mg  Mg3  1  0.414826  0.824905  0.285755  1
  Mg  Mg4  1  0.130606  0.256233  0.307465  1
  Mg  Mg5  1  0.968175  0.931616  0.333623  1
  Mg  Mg6  1  0.684989  0.365235  0.355942  1
  Mg  Mg7  1  0.848396  0.692046  0.329264  1
  Mg  Mg8  1  0.566027  0.127215  0.351845  1
  Mg  Mg9  1  0.402435  0.800226  0.378118  1
  Mg  Mg10  1  0.120190  0.235757  0.401319  1
  Mg  Mg11  1  0.283112  0.561517  0.374408  1
  Mg  Mg12  1  1.000834  0.996968  0.397512  1
  Mg  Mg13  1  0.837732  0.670933  0.423935  1
  Mg  Mg14  1  0.555354  0.106205  0.447059  1
  Mg  Mg15  1  0.718391  0.432160  0.420167  1
  Mg  Mg16  1  0.435727  0.866874  0.442965  1
  Mg  Mg17  1  0.272910  0.541393  0.469778  1
  Mg  Mg18  1  0.990319  0.976256  0.492649  1
  Mg  Mg19  1  0.153507  0.302494  0.465944  1
  Mg  Mg20  1  0.870889  0.737308  0.488778  1
  Mg  Mg21  1  0.708011  0.411703  0.515587  1
  Mg  Mg22  1  0.425393  0.846517  0.538420  1
  Mg  Mg23  1  0.588582  0.172756  0.511716  1
  Mg  Mg24  1  0.305991  0.607618  0.534587  1
  Mg  Mg25  1  0.143174  0.282137  0.561399  1
  Mg  Mg26  1  0.860510  0.716852  0.584197  1
  Mg  Mg27  1  0.023546  0.042806  0.557305  1
  Mg  Mg28  1  0.741168  0.478079  0.580430  1
  Mg  Mg29  1  0.578066  0.152043  0.606852  1
  Mg  Mg30  1  0.295789  0.587495  0.629957  1
  Mg  Mg31  1  0.458711  0.913255  0.603045  1
  Mg  Mg32  1  0.176466  0.348786  0.626247  1
  Mg  Mg33  1  0.012873  0.021797  0.652519  1
  Mg  Mg34  1  0.730504  0.456965  0.675100  1
  Mg  Mg35  1  0.893911  0.783777  0.648422  1
  Mg  Mg36  1  0.610725  0.217396  0.670742  1
  Mg  Mg37  1  0.448295  0.892778  0.696900  1
  Mg  Mg38  1  0.164074  0.324107  0.718609  1
  Mg  Mg39  1  0.329280  0.654523  0.692633  1
  Mg  Mg40  1  0.046825  0.089631  0.715160  1
