# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16482614
_cell_length_b   8.41780476
_cell_length_c   46.66349562
_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   Mg42
_cell_volume   2028.76537825
_cell_formula_units_Z   42
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  0.251897  0.214226  0.320980  1
  Mg  Mg2  1  0.251897  0.931221  0.278264  1
  Mg  Mg3  1  0.251897  0.573540  0.299846  1
  Mg  Mg4  1  0.751897  0.139836  0.285237  1
  Mg  Mg5  1  0.751897  0.787527  0.306253  1
  Mg  Mg6  1  0.751897  0.429427  0.328172  1
  Mg  Mg7  1  0.251897  0.143858  0.386993  1
  Mg  Mg8  1  0.251897  0.858206  0.342777  1
  Mg  Mg9  1  0.251897  0.501072  0.364909  1
  Mg  Mg10  1  0.751897  0.071756  0.350023  1
  Mg  Mg11  1  0.751897  0.715318  0.372022  1
  Mg  Mg12  1  0.751897  0.358047  0.394363  1
  Mg  Mg13  1  0.251897  0.071852  0.454111  1
  Mg  Mg14  1  0.251897  0.786330  0.409413  1
  Mg  Mg15  1  0.251897  0.428937  0.431774  1
  Mg  Mg16  1  0.751897  0.000784  0.416835  1
  Mg  Mg17  1  0.751897  0.643445  0.439137  1
  Mg  Mg18  1  0.751897  0.286292  0.461541  1
  Mg  Mg19  1  0.251897  1.000343  0.521194  1
  Mg  Mg20  1  0.251897  0.714609  0.476487  1
  Mg  Mg21  1  0.251897  0.357458  0.498862  1
  Mg  Mg22  1  0.751897  0.929041  0.483929  1
  Mg  Mg23  1  0.751897  0.571925  0.506261  1
  Mg  Mg24  1  0.751897  0.214774  0.528636  1
  Mg  Mg25  1  0.251897  0.928600  0.588288  1
  Mg  Mg26  1  0.251897  0.643091  0.543582  1
  Mg  Mg27  1  0.251897  0.285938  0.565986  1
  Mg  Mg28  1  0.751897  0.857532  0.551012  1
  Mg  Mg29  1  0.751897  0.500446  0.573349  1
  Mg  Mg30  1  0.751897  0.143053  0.595710  1
  Mg  Mg31  1  0.251897  0.857628  0.655100  1
  Mg  Mg32  1  0.251897  0.571336  0.610760  1
  Mg  Mg33  1  0.251897  0.214065  0.633101  1
  Mg  Mg34  1  0.751897  0.785525  0.618130  1
  Mg  Mg35  1  0.751897  0.428312  0.640214  1
  Mg  Mg36  1  0.751897  0.071177  0.662346  1
  Mg  Mg37  1  0.251897  0.789548  0.719886  1
  Mg  Mg38  1  0.251897  0.499957  0.676951  1
  Mg  Mg39  1  0.251897  0.141856  0.698870  1
  Mg  Mg40  1  0.751897  0.715158  0.684143  1
  Mg  Mg41  1  0.751897  0.355843  0.705277  1
  Mg  Mg42  1  0.751897  0.998162  0.726859  1
