# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17872029
_cell_length_b   7.99719049
_cell_length_c   53.73706128
_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   1366.0407874
_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  1.060846  0.634464  0.241645  1
  Mg  Mg2  1  1.060846  0.272072  0.220790  1
  Mg  Mg3  1  0.560846  0.345669  0.270281  1
  Mg  Mg4  1  0.560846  0.979711  0.247830  1
  Mg  Mg5  1  1.060846  0.425382  0.319786  1
  Mg  Mg6  1  1.060846  0.056357  0.297524  1
  Mg  Mg7  1  0.560846  0.135885  0.347611  1
  Mg  Mg8  1  0.560846  0.713835  0.291459  1
  Mg  Mg9  1  1.060846  0.215259  0.397795  1
  Mg  Mg10  1  1.060846  0.793317  0.341724  1
  Mg  Mg11  1  0.560846  0.872876  0.391994  1
  Mg  Mg12  1  0.560846  0.504534  0.369879  1
  Mg  Mg13  1  1.060846  0.952287  0.442214  1
  Mg  Mg14  1  1.060846  0.583831  0.420022  1
  Mg  Mg15  1  0.560846  0.663118  0.470178  1
  Mg  Mg16  1  0.560846  0.294663  0.447987  1
  Mg  Mg17  1  1.060846  0.742415  0.520321  1
  Mg  Mg18  1  1.060846  0.374073  0.498207  1
  Mg  Mg19  1  0.560846  0.453632  0.548476  1
  Mg  Mg20  1  0.560846  0.031691  0.492405  1
  Mg  Mg21  1  1.060846  0.533114  0.598742  1
  Mg  Mg22  1  1.060846  0.111064  0.542590  1
  Mg  Mg23  1  0.560846  0.190592  0.592677  1
  Mg  Mg24  1  0.560846  0.821568  0.570415  1
  Mg  Mg25  1  1.060846  0.267238  0.642371  1
  Mg  Mg26  1  1.060846  0.901280  0.619920  1
  Mg  Mg27  1  0.560846  0.974878  0.669411  1
  Mg  Mg28  1  0.560846  0.612486  0.648555  1
