# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17319376
_cell_length_b   7.98418926
_cell_length_c   53.38506725
_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   Mg28
_cell_volume   1352.53094145
_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  0.061271  0.632928  0.245093  1
  Mg  Mg2  1  0.061271  0.268775  0.223896  1
  Mg  Mg3  1  0.561271  0.345802  0.272330  1
  Mg  Mg4  1  0.561271  0.978032  0.250124  1
  Mg  Mg5  1  0.061271  0.426135  0.321978  1
  Mg  Mg6  1  0.061271  0.056451  0.299380  1
  Mg  Mg7  1  0.561271  0.136631  0.349693  1
  Mg  Mg8  1  0.561271  0.714711  0.293946  1
  Mg  Mg9  1  0.061271  0.215813  0.400063  1
  Mg  Mg10  1  0.061271  0.794546  0.344110  1
  Mg  Mg11  1  0.561271  0.873743  0.394437  1
  Mg  Mg12  1  0.561271  0.505383  0.372186  1
  Mg  Mg13  1  0.061271  0.952746  0.444779  1
  Mg  Mg14  1  0.061271  0.584343  0.422455  1
  Mg  Mg15  1  0.561271  0.663250  0.472737  1
  Mg  Mg16  1  0.561271  0.294848  0.450412  1
  Mg  Mg17  1  0.061271  0.742211  0.523006  1
  Mg  Mg18  1  0.061271  0.373851  0.500755  1
  Mg  Mg19  1  0.561271  0.453047  0.551081  1
  Mg  Mg20  1  0.561271  0.031781  0.495128  1
  Mg  Mg21  1  0.061271  0.532883  0.601245  1
  Mg  Mg22  1  0.061271  0.110962  0.545499  1
  Mg  Mg23  1  0.561271  0.191142  0.595811  1
  Mg  Mg24  1  0.561271  0.821458  0.573214  1
  Mg  Mg25  1  0.061271  0.269562  0.645067  1
  Mg  Mg26  1  0.061271  0.901792  0.622861  1
  Mg  Mg27  1  0.561271  0.978818  0.671295  1
  Mg  Mg28  1  0.561271  0.614665  0.650099  1
