# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17162154
_cell_length_b   22.35603129
_cell_length_c   45.96162057
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.07409671
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg64
_cell_volume   3250.66751238
_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  0.094068  0.247606  0.310723  1
  Mg  Mg2  1  0.354791  0.769009  0.283439  1
  Mg  Mg3  1  0.286121  0.631565  0.298857  1
  Mg  Mg4  1  0.024893  0.109073  0.326444  1
  Mg  Mg5  1  0.724401  0.508185  0.296715  1
  Mg  Mg6  1  0.463110  0.985525  0.324414  1
  Mg  Mg7  1  0.162797  0.385105  0.294770  1
  Mg  Mg8  1  0.901338  0.862050  0.321832  1
  Mg  Mg9  1  0.570919  0.201225  0.365442  1
  Mg  Mg10  1  0.832205  0.723794  0.337884  1
  Mg  Mg11  1  0.763118  0.585586  0.353662  1
  Mg  Mg12  1  0.501879  0.063071  0.381344  1
  Mg  Mg13  1  0.201496  0.462397  0.351496  1
  Mg  Mg14  1  0.940265  0.939868  0.379185  1
  Mg  Mg15  1  0.639988  0.339457  0.349583  1
  Mg  Mg16  1  0.378656  0.816699  0.376873  1
  Mg  Mg17  1  0.048001  0.155391  0.420991  1
  Mg  Mg18  1  0.309348  0.678089  0.393265  1
  Mg  Mg19  1  0.240281  0.539930  0.409356  1
  Mg  Mg20  1  0.978957  0.017251  0.437043  1
  Mg  Mg21  1  0.678703  0.416816  0.407212  1
  Mg  Mg22  1  0.417333  0.894031  0.434836  1
  Mg  Mg23  1  0.117061  0.293571  0.404993  1
  Mg  Mg24  1  0.855713  0.770833  0.432613  1
  Mg  Mg25  1  0.525186  0.109769  0.476743  1
  Mg  Mg26  1  0.786514  0.632433  0.449015  1
  Mg  Mg27  1  0.717461  0.494303  0.465177  1
  Mg  Mg28  1  0.456123  0.971598  0.492825  1
  Mg  Mg29  1  0.155850  0.371116  0.462948  1
  Mg  Mg30  1  0.894502  0.848387  0.490610  1
  Mg  Mg31  1  0.594237  0.247923  0.460689  1
  Mg  Mg32  1  0.332874  0.725172  0.488419  1
  Mg  Mg33  1  0.002380  0.064167  0.532509  1
  Mg  Mg34  1  0.263687  0.586794  0.504841  1
  Mg  Mg35  1  0.194648  0.448689  0.520970  1
  Mg  Mg36  1  0.933315  0.925989  0.548595  1
  Mg  Mg37  1  0.633051  0.325528  0.518729  1
  Mg  Mg38  1  0.371674  0.802742  0.546384  1
  Mg  Mg39  1  0.071441  0.202337  0.516448  1
  Mg  Mg40  1  0.810042  0.679522  0.544203  1
  Mg  Mg41  1  0.479565  0.018544  0.588254  1
  Mg  Mg42  1  0.740848  0.541136  0.560725  1
  Mg  Mg43  1  0.671876  0.403157  0.576759  1
  Mg  Mg44  1  0.410461  0.880280  0.604277  1
  Mg  Mg45  1  0.110241  0.279920  0.574481  1
  Mg  Mg46  1  0.848808  0.757019  0.602126  1
  Mg  Mg47  1  0.548614  0.156693  0.572204  1
  Mg  Mg48  1  0.287234  0.633923  0.599981  1
  Mg  Mg49  1  0.956618  0.972652  0.643761  1
  Mg  Mg50  1  0.217975  0.495416  0.616665  1
  Mg  Mg51  1  0.148971  0.357358  0.632292  1
  Mg  Mg52  1  0.887597  0.834517  0.659711  1
  Mg  Mg53  1  0.587310  0.234074  0.630071  1
  Mg  Mg54  1  0.326113  0.711631  0.657855  1
  Mg  Mg55  1  0.025703  0.110891  0.627890  1
  Mg  Mg56  1  0.764557  0.588582  0.655518  1
  Mg  Mg57  1  0.433567  0.926467  0.698516  1
  Mg  Mg58  1  0.695243  0.449986  0.672028  1
  Mg  Mg59  1  0.625683  0.310735  0.686814  1
  Mg  Mg60  1  0.365021  0.789333  0.714583  1
  Mg  Mg61  1  0.064200  0.187874  0.684836  1
  Mg  Mg62  1  0.803563  0.666546  0.712645  1
  Mg  Mg63  1  0.502566  0.064642  0.682750  1
  Mg  Mg64  1  0.242651  0.544810  0.710026  1
