# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17319324
_cell_length_b   7.98421916
_cell_length_c   53.38490951
_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   1352.53178753
_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  0.561271  0.345798  0.272331  1
  Mg  Mg2  1  0.561271  0.978028  0.250125  1
  Mg  Mg3  1  1.061271  0.632924  0.245094  1
  Mg  Mg4  1  1.061271  0.268772  0.223897  1
  Mg  Mg5  1  0.561271  0.136628  0.349694  1
  Mg  Mg6  1  0.561271  0.714707  0.293948  1
  Mg  Mg7  1  1.061271  0.426132  0.321979  1
  Mg  Mg8  1  1.061271  0.056448  0.299381  1
  Mg  Mg9  1  0.561271  0.873740  0.394438  1
  Mg  Mg10  1  0.561271  0.505380  0.372187  1
  Mg  Mg11  1  1.061271  0.215810  0.400065  1
  Mg  Mg12  1  1.061271  0.794544  0.344111  1
  Mg  Mg13  1  0.561271  0.663249  0.472738  1
  Mg  Mg14  1  0.561271  0.294846  0.450414  1
  Mg  Mg15  1  1.061271  0.952744  0.444780  1
  Mg  Mg16  1  1.061271  0.584341  0.422456  1
  Mg  Mg17  1  0.561271  0.453046  0.551083  1
  Mg  Mg18  1  0.561271  0.031780  0.495129  1
  Mg  Mg19  1  1.061271  0.742209  0.523007  1
  Mg  Mg20  1  1.061271  0.373849  0.500756  1
  Mg  Mg21  1  0.561271  0.191142  0.595813  1
  Mg  Mg22  1  0.561271  0.821458  0.573215  1
  Mg  Mg23  1  1.061271  0.532883  0.601246  1
  Mg  Mg24  1  1.061271  0.110961  0.545500  1
  Mg  Mg25  1  0.561271  0.978818  0.671297  1
  Mg  Mg26  1  0.561271  0.614666  0.650100  1
  Mg  Mg27  1  1.061271  0.269562  0.645069  1
  Mg  Mg28  1  1.061271  0.901792  0.622863  1
