# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18339386
_cell_length_b   13.32112151
_cell_length_c   47.59840711
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.14262104
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg40
_cell_volume   2004.03666687
_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  0.475765  0.052412  0.285449  1
  Mg  Mg2  1  0.754659  0.494628  0.307384  1
  Mg  Mg3  1  0.594905  0.814130  0.282662  1
  Mg  Mg4  1  0.874352  0.255298  0.303671  1
  Mg  Mg5  1  0.038430  0.927075  0.331507  1
  Mg  Mg6  1  0.320430  0.363093  0.353335  1
  Mg  Mg7  1  0.157472  0.689016  0.328101  1
  Mg  Mg8  1  0.439822  0.124338  0.348868  1
  Mg  Mg9  1  0.603055  0.797830  0.376543  1
  Mg  Mg10  1  0.885568  0.232810  0.398540  1
  Mg  Mg11  1  0.722991  0.557985  0.372148  1
  Mg  Mg12  1  0.004633  0.994712  0.394954  1
  Mg  Mg13  1  0.168293  0.667354  0.421640  1
  Mg  Mg14  1  0.450467  0.103013  0.444343  1
  Mg  Mg15  1  0.287693  0.428587  0.417721  1
  Mg  Mg16  1  0.569959  0.864058  0.440584  1
  Mg  Mg17  1  0.733187  0.537570  0.467173  1
  Mg  Mg18  1  0.015612  0.972721  0.489950  1
  Mg  Mg19  1  0.852670  0.298637  0.463211  1
  Mg  Mg20  1  0.135122  0.733734  0.486075  1
  Mg  Mg21  1  0.298239  0.407468  0.512688  1
  Mg  Mg22  1  0.580691  0.842565  0.535552  1
  Mg  Mg23  1  0.417749  0.168480  0.508813  1
  Mg  Mg24  1  0.700174  0.603631  0.531590  1
  Mg  Mg25  1  0.863402  0.277144  0.558179  1
  Mg  Mg26  1  0.145668  0.712615  0.581042  1
  Mg  Mg27  1  0.982894  0.038189  0.554420  1
  Mg  Mg28  1  0.265068  0.473847  0.577123  1
  Mg  Mg29  1  0.428728  0.146490  0.603810  1
  Mg  Mg30  1  0.710370  0.583216  0.626615  1
  Mg  Mg31  1  0.547793  0.908392  0.600223  1
  Mg  Mg32  1  0.830306  0.343372  0.622220  1
  Mg  Mg33  1  0.993539  0.016863  0.649895  1
  Mg  Mg34  1  0.275889  0.452186  0.670663  1
  Mg  Mg35  1  0.112931  0.778109  0.645429  1
  Mg  Mg36  1  0.394931  0.214127  0.667257  1
  Mg  Mg37  1  0.559009  0.885903  0.695092  1
  Mg  Mg38  1  0.838456  0.327071  0.716101  1
  Mg  Mg39  1  0.678702  0.646573  0.691379  1
  Mg  Mg40  1  0.957596  0.088790  0.713314  1
