# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17065586
_cell_length_b   13.36120149
_cell_length_c   47.26852483
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.83867789
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg40
_cell_volume   1988.2261101
_cell_formula_units_Z   40
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  0.545433  0.212436  0.280410  1
  Mg  Mg2  1  0.858753  0.838381  0.321943  1
  Mg  Mg3  1  0.260752  0.642536  0.303099  1
  Mg  Mg4  1  0.662878  0.447244  0.284413  1
  Mg  Mg5  1  0.978746  0.079153  0.324770  1
  Mg  Mg6  1  0.294119  0.709341  0.366636  1
  Mg  Mg7  1  0.696079  0.513427  0.347748  1
  Mg  Mg8  1  0.098074  0.317735  0.329134  1
  Mg  Mg9  1  0.413763  0.948875  0.370310  1
  Mg  Mg10  1  0.729252  0.579765  0.412106  1
  Mg  Mg11  1  0.131021  0.383479  0.393227  1
  Mg  Mg12  1  0.532657  0.187052  0.374035  1
  Mg  Mg13  1  0.848872  0.819171  0.415823  1
  Mg  Mg14  1  0.164504  0.450354  0.457737  1
  Mg  Mg15  1  0.566243  0.253990  0.438706  1
  Mg  Mg16  1  0.968172  0.058012  0.419745  1
  Mg  Mg17  1  0.284015  0.689549  0.461474  1
  Mg  Mg18  1  0.599690  0.320808  0.503302  1
  Mg  Mg19  1  1.001479  0.124533  0.484365  1
  Mg  Mg20  1  0.403346  0.928419  0.465368  1
  Mg  Mg21  1  0.719247  0.560092  0.507164  1
  Mg  Mg22  1  0.034879  0.191263  0.548919  1
  Mg  Mg23  1  0.436629  0.994914  0.529989  1
  Mg  Mg24  1  0.838506  0.798821  0.511020  1
  Mg  Mg25  1  0.154430  0.430543  0.552752  1
  Mg  Mg26  1  0.470007  0.061579  0.594468  1
  Mg  Mg27  1  0.871764  0.865259  0.575627  1
  Mg  Mg28  1  0.273753  0.669395  0.556758  1
  Mg  Mg29  1  0.589642  0.301057  0.598288  1
  Mg  Mg30  1  0.905264  0.932032  0.639911  1
  Mg  Mg31  1  0.307190  0.736162  0.621495  1
  Mg  Mg32  1  0.708973  0.539917  0.602327  1
  Mg  Mg33  1  0.024762  0.171395  0.643552  1
  Mg  Mg34  1  0.340409  0.802218  0.685550  1
  Mg  Mg35  1  0.742022  0.605913  0.666680  1
  Mg  Mg36  1  0.143900  0.409901  0.647766  1
  Mg  Mg37  1  0.460179  0.042059  0.688150  1
  Mg  Mg38  1  0.773739  0.669101  0.729863  1
  Mg  Mg39  1  0.176849  0.475833  0.711184  1
  Mg  Mg40  1  0.578791  0.279918  0.692406  1
