# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16664053
_cell_length_b   13.36595113
_cell_length_c   47.17695503
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.16174240
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg40
_cell_volume   1982.56770207
_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  0.332243  0.214997  0.281680  1
  Mg  Mg2  1  0.020653  0.837457  0.323344  1
  Mg  Mg3  1  0.618487  0.641901  0.304448  1
  Mg  Mg4  1  0.216024  0.447409  0.285805  1
  Mg  Mg5  1  0.899996  0.079646  0.325473  1
  Mg  Mg6  1  0.585064  0.708959  0.367505  1
  Mg  Mg7  1  0.182915  0.513370  0.348605  1
  Mg  Mg8  1  0.780767  0.318002  0.330042  1
  Mg  Mg9  1  0.465070  0.949112  0.371059  1
  Mg  Mg10  1  0.149838  0.579610  0.412999  1
  Mg  Mg11  1  0.748065  0.383312  0.394090  1
  Mg  Mg12  1  0.346438  0.186876  0.374608  1
  Mg  Mg13  1  0.030034  0.819347  0.416547  1
  Mg  Mg14  1  0.714546  0.450300  0.458717  1
  Mg  Mg15  1  0.312832  0.253871  0.439565  1
  Mg  Mg16  1  0.910760  0.058158  0.420506  1
  Mg  Mg17  1  0.594917  0.689724  0.462350  1
  Mg  Mg18  1  0.279379  0.320750  0.504334  1
  Mg  Mg19  1  0.877574  0.124505  0.485350  1
  Mg  Mg20  1  0.475636  0.928528  0.466246  1
  Mg  Mg21  1  0.159679  0.560309  0.508166  1
  Mg  Mg22  1  0.844191  0.191243  0.550080  1
  Mg  Mg23  1  0.442442  0.994896  0.531080  1
  Mg  Mg24  1  0.040504  0.798916  0.512016  1
  Mg  Mg25  1  0.724498  0.430788  0.553825  1
  Mg  Mg26  1  0.409156  0.061433  0.595728  1
  Mg  Mg27  1  0.007378  0.865148  0.576794  1
  Mg  Mg28  1  0.605258  0.669530  0.557903  1
  Mg  Mg29  1  0.289210  0.301485  0.599438  1
  Mg  Mg30  1  0.973906  0.931885  0.641103  1
  Mg  Mg31  1  0.571831  0.736339  0.622902  1
  Mg  Mg32  1  0.169988  0.540184  0.603565  1
  Mg  Mg33  1  0.854078  0.171909  0.644488  1
  Mg  Mg34  1  0.538783  0.802015  0.686865  1
  Mg  Mg35  1  0.137056  0.606024  0.668019  1
  Mg  Mg36  1  0.735081  0.410178  0.649017  1
  Mg  Mg37  1  0.418414  0.042997  0.688531  1
  Mg  Mg38  1  0.106619  0.666681  0.730595  1
  Mg  Mg39  1  0.702525  0.475512  0.711893  1
  Mg  Mg40  1  0.300401  0.279915  0.693063  1
