# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51236212
_cell_length_b   6.07213919
_cell_length_c   46.86456000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.95184183
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg28
_cell_volume   1398.26886169
_cell_formula_units_Z   28
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  0.054304  0.955613  0.302407  1
  Mg  Mg2  1  0.164611  0.501937  0.287561  1
  Mg  Mg3  1  0.515409  0.868701  0.333528  1
  Mg  Mg4  1  0.620038  0.408100  0.317634  1
  Mg  Mg5  1  0.972365  0.780862  0.365243  1
  Mg  Mg6  1  0.079892  0.325903  0.349883  1
  Mg  Mg7  1  0.431257  0.696527  0.397693  1
  Mg  Mg8  1  0.535576  0.238770  0.381525  1
  Mg  Mg9  1  0.887581  0.608738  0.430178  1
  Mg  Mg10  1  0.992902  0.151679  0.414105  1
  Mg  Mg11  1  0.344793  0.522884  0.462698  1
  Mg  Mg12  1  0.449765  0.065791  0.446502  1
  Mg  Mg13  1  0.801850  0.436704  0.495226  1
  Mg  Mg14  1  0.906740  0.979470  0.479049  1
  Mg  Mg15  1  0.258987  0.350948  0.527697  1
  Mg  Mg16  1  0.363876  0.893713  0.511520  1
  Mg  Mg17  1  0.715961  0.264627  0.560244  1
  Mg  Mg18  1  0.820933  0.807534  0.544048  1
  Mg  Mg19  1  0.172824  0.178739  0.592641  1
  Mg  Mg20  1  0.278146  0.721680  0.576568  1
  Mg  Mg21  1  0.630150  0.091648  0.625221  1
  Mg  Mg22  1  0.734469  0.633891  0.609053  1
  Mg  Mg23  1  0.085834  0.004515  0.656863  1
  Mg  Mg24  1  0.193361  0.549556  0.641503  1
  Mg  Mg25  1  0.545688  0.922318  0.689112  1
  Mg  Mg26  1  0.650318  0.461717  0.673218  1
  Mg  Mg27  1  0.001115  0.828481  0.719185  1
  Mg  Mg28  1  0.111423  0.374805  0.704339  1
