# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18583755
_cell_length_b   21.05880561
_cell_length_c   49.47149281
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.64946154
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg64
_cell_volume   3309.47572245
_cell_formula_units_Z   64
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  0.515108  0.912173  0.282616  1
  Mg  Mg2  1  0.269097  0.403747  0.308686  1
  Mg  Mg3  1  0.827730  0.286497  0.284269  1
  Mg  Mg4  1  0.581478  0.778928  0.310578  1
  Mg  Mg5  1  0.391844  0.158349  0.294977  1
  Mg  Mg6  1  0.145838  0.650191  0.322379  1
  Mg  Mg7  1  0.956360  0.029468  0.306412  1
  Mg  Mg8  1  0.710321  0.521273  0.333872  1
  Mg  Mg9  1  0.023370  0.895408  0.337021  1
  Mg  Mg10  1  0.777565  0.386827  0.364039  1
  Mg  Mg11  1  0.336192  0.269591  0.338903  1
  Mg  Mg12  1  0.090459  0.761008  0.366125  1
  Mg  Mg13  1  0.900510  0.141024  0.350293  1
  Mg  Mg14  1  0.654739  0.632450  0.377788  1
  Mg  Mg15  1  0.464813  0.012507  0.362045  1
  Mg  Mg16  1  0.219060  0.503835  0.389525  1
  Mg  Mg17  1  0.532071  0.877914  0.392250  1
  Mg  Mg18  1  0.286256  0.369465  0.419696  1
  Mg  Mg19  1  0.844811  0.252361  0.394290  1
  Mg  Mg20  1  0.599147  0.743651  0.421823  1
  Mg  Mg21  1  0.409169  0.123696  0.405964  1
  Mg  Mg22  1  0.163451  0.615053  0.433478  1
  Mg  Mg23  1  0.973526  0.995037  0.417748  1
  Mg  Mg24  1  0.727771  0.486435  0.445256  1
  Mg  Mg25  1  0.040694  0.860642  0.447777  1
  Mg  Mg26  1  0.794964  0.352057  0.475377  1
  Mg  Mg27  1  0.353483  0.235020  0.449860  1
  Mg  Mg28  1  0.107785  0.726377  0.477495  1
  Mg  Mg29  1  0.917844  0.106340  0.461648  1
  Mg  Mg30  1  0.672109  0.597748  0.489159  1
  Mg  Mg31  1  0.482187  0.977690  0.473439  1
  Mg  Mg32  1  0.236457  0.469079  0.500927  1
  Mg  Mg33  1  0.549333  0.843356  0.503408  1
  Mg  Mg34  1  0.303661  0.334674  0.531056  1
  Mg  Mg35  1  0.862166  0.217664  0.505505  1
  Mg  Mg36  1  0.616411  0.709120  0.533146  1
  Mg  Mg37  1  0.426508  0.089014  0.517343  1
  Mg  Mg38  1  0.180749  0.580471  0.544804  1
  Mg  Mg39  1  0.990842  0.960374  0.529113  1
  Mg  Mg40  1  0.745118  0.451767  0.556534  1
  Mg  Mg41  1  0.057977  0.826065  0.559113  1
  Mg  Mg42  1  0.812329  0.317346  0.586735  1
  Mg  Mg43  1  0.370838  0.200329  0.561211  1
  Mg  Mg44  1  0.125013  0.691896  0.588770  1
  Mg  Mg45  1  0.935163  0.071714  0.573058  1
  Mg  Mg46  1  0.689389  0.563181  0.600408  1
  Mg  Mg47  1  0.499497  0.943064  0.584753  1
  Mg  Mg48  1  0.253725  0.434552  0.612076  1
  Mg  Mg49  1  0.566654  0.808724  0.614912  1
  Mg  Mg50  1  0.320908  0.300194  0.642395  1
  Mg  Mg51  1  0.879493  0.183035  0.616968  1
  Mg  Mg52  1  0.633720  0.674403  0.644266  1
  Mg  Mg53  1  0.443833  0.054389  0.628755  1
  Mg  Mg54  1  0.197924  0.546078  0.656009  1
  Mg  Mg55  1  0.008161  0.925747  0.640258  1
  Mg  Mg56  1  0.762200  0.417594  0.667443  1
  Mg  Mg57  1  0.075454  0.791149  0.670719  1
  Mg  Mg58  1  0.829196  0.283627  0.697763  1
  Mg  Mg59  1  0.388076  0.165899  0.672640  1
  Mg  Mg60  1  0.142044  0.657538  0.699460  1
  Mg  Mg61  1  0.952582  0.036937  0.684093  1
  Mg  Mg62  1  0.706288  0.529296  0.711202  1
  Mg  Mg63  1  0.516672  0.908756  0.695006  1
  Mg  Mg64  1  0.270425  0.401140  0.722066  1
