# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.35220943
_cell_length_b   11.45363348
_cell_length_c   45.69605143
_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   Mg108
_cell_volume   5418.19966972
_cell_formula_units_Z   108
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  1.000246  0.465489  0.314282  1
  Mg  Mg2  1  0.999922  0.195413  0.297926  1
  Mg  Mg3  1  0.002738  0.926392  0.281961  1
  Mg  Mg4  1  0.251036  0.310770  0.325087  1
  Mg  Mg5  1  0.251036  0.042396  0.308710  1
  Mg  Mg6  1  0.251036  0.775197  0.292864  1
  Mg  Mg7  1  0.501827  0.465489  0.314282  1
  Mg  Mg8  1  0.502151  0.195413  0.297926  1
  Mg  Mg9  1  0.499335  0.926392  0.281961  1
  Mg  Mg10  1  0.751036  0.351197  0.287440  1
  Mg  Mg11  1  0.751036  0.889670  0.319701  1
  Mg  Mg12  1  0.751036  0.620399  0.303577  1
  Mg  Mg13  1  1.000853  0.273073  0.363596  1
  Mg  Mg14  1  0.001716  0.003722  0.347374  1
  Mg  Mg15  1  1.000890  0.734793  0.330807  1
  Mg  Mg16  1  0.251036  0.119333  0.374782  1
  Mg  Mg17  1  0.251036  0.850001  0.358294  1
  Mg  Mg18  1  0.251036  0.580415  0.341761  1
  Mg  Mg19  1  0.501219  0.273073  0.363596  1
  Mg  Mg20  1  0.500357  0.003722  0.347374  1
  Mg  Mg21  1  0.501183  0.734793  0.330807  1
  Mg  Mg22  1  0.751036  0.157570  0.335959  1
  Mg  Mg23  1  0.751036  0.696503  0.369290  1
  Mg  Mg24  1  0.751036  0.427343  0.352673  1
  Mg  Mg25  1  0.001052  0.080841  0.413856  1
  Mg  Mg26  1  0.001037  0.811265  0.397132  1
  Mg  Mg27  1  1.000945  0.542020  0.380381  1
  Mg  Mg28  1  0.251036  0.926814  0.425018  1
  Mg  Mg29  1  0.251036  0.657346  0.408186  1
  Mg  Mg30  1  0.251036  0.388020  0.391409  1
  Mg  Mg31  1  0.501020  0.080841  0.413856  1
  Mg  Mg32  1  0.501036  0.811265  0.397132  1
  Mg  Mg33  1  0.501128  0.542020  0.380381  1
  Mg  Mg34  1  0.751036  0.965411  0.385897  1
  Mg  Mg35  1  0.751036  0.504100  0.419381  1
  Mg  Mg36  1  0.751036  0.234636  0.402461  1
  Mg  Mg37  1  1.001030  0.888586  0.464058  1
  Mg  Mg38  1  0.001082  0.619231  0.447289  1
  Mg  Mg39  1  1.001017  0.349950  0.430494  1
  Mg  Mg40  1  0.251036  0.734532  0.475178  1
  Mg  Mg41  1  0.251036  0.465196  0.458390  1
  Mg  Mg42  1  0.251036  0.196027  0.441696  1
  Mg  Mg43  1  0.501043  0.888586  0.464058  1
  Mg  Mg44  1  0.500991  0.619231  0.447289  1
  Mg  Mg45  1  0.501056  0.349950  0.430494  1
  Mg  Mg46  1  0.751036  0.773350  0.436130  1
  Mg  Mg47  1  0.751036  0.311788  0.469502  1
  Mg  Mg48  1  0.751036  0.042609  0.452790  1
  Mg  Mg49  1  0.001037  0.696307  0.514253  1
  Mg  Mg50  1  1.001026  0.426998  0.497490  1
  Mg  Mg51  1  0.001043  0.157808  0.480781  1
  Mg  Mg52  1  0.251036  0.542250  0.525361  1
  Mg  Mg53  1  0.251036  0.273014  0.508642  1
  Mg  Mg54  1  0.251036  0.003811  0.491964  1
  Mg  Mg55  1  0.501035  0.696307  0.514253  1
  Mg  Mg56  1  0.501047  0.426998  0.497490  1
  Mg  Mg57  1  0.501030  0.157808  0.480781  1
  Mg  Mg58  1  0.751036  0.581104  0.486322  1
  Mg  Mg59  1  0.751036  0.119506  0.519729  1
  Mg  Mg60  1  0.751036  0.850392  0.503068  1
  Mg  Mg61  1  1.001002  0.504069  0.564472  1
  Mg  Mg62  1  0.001057  0.234745  0.547734  1
  Mg  Mg63  1  1.001021  0.965575  0.531052  1
  Mg  Mg64  1  0.251036  0.350057  0.575538  1
  Mg  Mg65  1  0.251036  0.080804  0.558907  1
  Mg  Mg66  1  0.251036  0.811550  0.542145  1
  Mg  Mg67  1  0.501071  0.504069  0.564472  1
  Mg  Mg68  1  0.501016  0.234745  0.547734  1
  Mg  Mg69  1  0.501052  0.965575  0.531052  1
  Mg  Mg70  1  0.751036  0.388812  0.536498  1
  Mg  Mg71  1  0.751036  0.927371  0.570056  1
  Mg  Mg72  1  0.751036  0.658186  0.553286  1
  Mg  Mg73  1  0.001199  0.311954  0.614631  1
  Mg  Mg74  1  1.000979  0.042745  0.598091  1
  Mg  Mg75  1  1.001030  0.773323  0.581241  1
  Mg  Mg76  1  0.251036  0.158003  0.625730  1
  Mg  Mg77  1  0.251036  0.888845  0.609067  1
  Mg  Mg78  1  0.251036  0.619366  0.592276  1
  Mg  Mg79  1  0.500874  0.311954  0.614631  1
  Mg  Mg80  1  0.501094  0.042745  0.598091  1
  Mg  Mg81  1  0.501042  0.773323  0.581241  1
  Mg  Mg82  1  0.751036  0.196461  0.586594  1
  Mg  Mg83  1  0.751036  0.735151  0.620268  1
  Mg  Mg84  1  0.751036  0.466093  0.603448  1
  Mg  Mg85  1  1.000341  0.119695  0.664600  1
  Mg  Mg86  1  1.001010  0.850080  0.648016  1
  Mg  Mg87  1  0.001124  0.580956  0.631414  1
  Mg  Mg88  1  0.251036  0.965117  0.675292  1
  Mg  Mg89  1  0.251036  0.696461  0.658843  1
  Mg  Mg90  1  0.251036  0.427112  0.642242  1
  Mg  Mg91  1  0.501732  0.119695  0.664600  1
  Mg  Mg92  1  0.501063  0.850080  0.648016  1
  Mg  Mg93  1  0.500949  0.580956  0.631414  1
  Mg  Mg94  1  0.751036  0.004095  0.636927  1
  Mg  Mg95  1  0.751036  0.542662  0.669877  1
  Mg  Mg96  1  0.751036  0.273493  0.652930  1
  Mg  Mg97  1  0.001900  0.926155  0.713505  1
  Mg  Mg98  1  0.001511  0.657627  0.697404  1
  Mg  Mg99  1  0.001249  0.388363  0.680872  1
  Mg  Mg100  1  0.251036  0.773377  0.724090  1
  Mg  Mg101  1  0.251036  0.505256  0.707629  1
  Mg  Mg102  1  0.251036  0.234724  0.691355  1
  Mg  Mg103  1  0.500173  0.926155  0.713505  1
  Mg  Mg104  1  0.500562  0.657627  0.697404  1
  Mg  Mg105  1  0.500824  0.388363  0.680872  1
  Mg  Mg106  1  0.751036  0.812286  0.686499  1
  Mg  Mg107  1  0.751036  0.348128  0.718244  1
  Mg  Mg108  1  0.751036  0.080236  0.702681  1
