# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50610174
_cell_length_b   6.08420094
_cell_length_c   47.52779340
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.89191324
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg28
_cell_volume   1420.01453232
_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  0.058865  0.960232  0.296405  1
  Mg  Mg2  1  0.171016  0.505785  0.282734  1
  Mg  Mg3  1  0.522038  0.876718  0.328557  1
  Mg  Mg4  1  0.628066  0.413997  0.312185  1
  Mg  Mg5  1  0.978435  0.787410  0.360622  1
  Mg  Mg6  1  0.088203  0.331189  0.345231  1
  Mg  Mg7  1  0.437058  0.703354  0.393235  1
  Mg  Mg8  1  0.544263  0.245493  0.377102  1
  Mg  Mg9  1  0.893918  0.616926  0.425527  1
  Mg  Mg10  1  1.001565  0.159310  0.409483  1
  Mg  Mg11  1  0.350757  0.531253  0.457921  1
  Mg  Mg12  1  0.458657  0.074152  0.441776  1
  Mg  Mg13  1  0.807471  0.445514  0.490272  1
  Mg  Mg14  1  0.915362  0.988312  0.474112  1
  Mg  Mg15  1  0.264168  0.359807  0.522610  1
  Mg  Mg16  1  0.372058  0.902604  0.506450  1
  Mg  Mg17  1  0.720873  0.273966  0.554945  1
  Mg  Mg18  1  0.828773  0.816865  0.538800  1
  Mg  Mg19  1  0.177965  0.188808  0.587239  1
  Mg  Mg20  1  0.285612  0.731192  0.571194  1
  Mg  Mg21  1  0.635267  0.102625  0.619620  1
  Mg  Mg22  1  0.742472  0.644764  0.603487  1
  Mg  Mg23  1  0.091327  0.016929  0.651491  1
  Mg  Mg24  1  0.201095  0.560708  0.636100  1
  Mg  Mg25  1  0.551464  0.934121  0.684537  1
  Mg  Mg26  1  0.657492  0.471400  0.668165  1
  Mg  Mg27  1  0.008514  0.842333  0.713987  1
  Mg  Mg28  1  0.120665  0.387886  0.700316  1
