# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.35919724
_cell_length_b   8.38226372
_cell_length_c   47.04180829
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg84
_cell_volume   4084.80594788
_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  0.001931  0.351619  0.293082  1
  Mg  Mg2  1  0.001512  0.998877  0.317072  1
  Mg  Mg3  1  0.996540  0.719576  0.273673  1
  Mg  Mg4  1  0.251488  0.219757  0.324198  1
  Mg  Mg5  1  0.251488  0.938501  0.279837  1
  Mg  Mg6  1  0.251488  0.574943  0.301196  1
  Mg  Mg7  1  0.501045  0.351619  0.293082  1
  Mg  Mg8  1  0.501463  0.998877  0.317072  1
  Mg  Mg9  1  0.506436  0.719576  0.273673  1
  Mg  Mg10  1  0.751488  0.125834  0.285798  1
  Mg  Mg11  1  0.751488  0.774330  0.309864  1
  Mg  Mg12  1  0.751488  0.420896  0.329336  1
  Mg  Mg13  1  1.000574  0.285092  0.360098  1
  Mg  Mg14  1  1.001316  0.926178  0.382676  1
  Mg  Mg15  1  0.004136  0.640058  0.338694  1
  Mg  Mg16  1  0.251488  0.143033  0.390130  1
  Mg  Mg17  1  0.251488  0.858961  0.345600  1
  Mg  Mg18  1  0.251488  0.501095  0.367984  1
  Mg  Mg19  1  0.502402  0.285092  0.360098  1
  Mg  Mg20  1  0.501660  0.926178  0.382676  1
  Mg  Mg21  1  0.498840  0.640058  0.338694  1
  Mg  Mg22  1  0.751488  0.066143  0.352518  1
  Mg  Mg23  1  0.751488  0.707969  0.374869  1
  Mg  Mg24  1  0.751488  0.352848  0.396915  1
  Mg  Mg25  1  1.001432  0.212061  0.426999  1
  Mg  Mg26  1  1.001465  0.854858  0.449486  1
  Mg  Mg27  1  1.001424  0.569133  0.405010  1
  Mg  Mg28  1  0.251488  0.070668  0.457000  1
  Mg  Mg29  1  0.251488  0.785555  0.412413  1
  Mg  Mg30  1  0.251488  0.427846  0.434726  1
  Mg  Mg31  1  0.501544  0.212061  0.426999  1
  Mg  Mg32  1  0.501511  0.854858  0.449486  1
  Mg  Mg33  1  0.501552  0.569133  0.405010  1
  Mg  Mg34  1  0.751488  0.995632  0.419349  1
  Mg  Mg35  1  0.751488  0.638820  0.441841  1
  Mg  Mg36  1  0.751488  0.281858  0.463943  1
  Mg  Mg37  1  0.001489  0.140571  0.493974  1
  Mg  Mg38  1  0.001507  0.783326  0.516343  1
  Mg  Mg39  1  0.001514  0.497494  0.471780  1
  Mg  Mg40  1  0.251488  0.999142  0.523895  1
  Mg  Mg41  1  0.251488  0.713292  0.479306  1
  Mg  Mg42  1  0.251488  0.356087  0.501664  1
  Mg  Mg43  1  0.501487  0.140571  0.493974  1
  Mg  Mg44  1  0.501469  0.783326  0.516343  1
  Mg  Mg45  1  0.501462  0.497494  0.471780  1
  Mg  Mg46  1  0.751488  0.924839  0.486354  1
  Mg  Mg47  1  0.751488  0.567529  0.508708  1
  Mg  Mg48  1  0.751488  0.210519  0.530837  1
  Mg  Mg49  1  0.001579  0.069125  0.560885  1
  Mg  Mg50  1  0.001513  0.711835  0.583284  1
  Mg  Mg51  1  0.001534  0.426161  0.538668  1
  Mg  Mg52  1  0.251488  0.928403  0.590802  1
  Mg  Mg53  1  0.251488  0.642042  0.546207  1
  Mg  Mg54  1  0.251488  0.285083  0.568691  1
  Mg  Mg55  1  0.501397  0.069125  0.560885  1
  Mg  Mg56  1  0.501463  0.711835  0.583284  1
  Mg  Mg57  1  0.501442  0.426161  0.538668  1
  Mg  Mg58  1  0.751488  0.852973  0.553205  1
  Mg  Mg59  1  0.751488  0.495327  0.575606  1
  Mg  Mg60  1  0.751488  0.138149  0.597481  1
  Mg  Mg61  1  0.001936  0.997415  0.627733  1
  Mg  Mg62  1  1.001433  0.640698  0.650197  1
  Mg  Mg63  1  0.001722  0.354793  0.605621  1
  Mg  Mg64  1  0.251488  0.860237  0.657521  1
  Mg  Mg65  1  0.251488  0.572138  0.613120  1
  Mg  Mg66  1  0.251488  0.214747  0.635821  1
  Mg  Mg67  1  0.501040  0.997415  0.627733  1
  Mg  Mg68  1  0.501543  0.640698  0.650197  1
  Mg  Mg69  1  0.501254  0.354793  0.605621  1
  Mg  Mg70  1  0.751488  0.779532  0.619903  1
  Mg  Mg71  1  0.751488  0.420933  0.642395  1
  Mg  Mg72  1  0.751488  0.062180  0.663126  1
  Mg  Mg73  1  0.003260  0.929042  0.693850  1
  Mg  Mg74  1  0.999959  0.568968  0.716493  1
  Mg  Mg75  1  0.999617  0.282380  0.672250  1
  Mg  Mg76  1  0.251488  0.784164  0.722448  1
  Mg  Mg77  1  0.251488  0.504019  0.678948  1
  Mg  Mg78  1  0.251488  0.153581  0.702883  1
  Mg  Mg79  1  0.499716  0.929042  0.693850  1
  Mg  Mg80  1  0.503017  0.568968  0.716493  1
  Mg  Mg81  1  0.503359  0.282380  0.672250  1
  Mg  Mg82  1  0.751488  0.703659  0.685667  1
  Mg  Mg83  1  0.751488  0.345937  0.708864  1
  Mg  Mg84  1  0.751488  0.984458  0.728098  1
