# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.36186064
_cell_length_b   11.42748331
_cell_length_c   45.98899198
_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   5445.55605936
_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  0.003712  0.471486  0.311301  1
  Mg  Mg2  1  0.998089  0.194840  0.295603  1
  Mg  Mg3  1  0.996045  0.922653  0.281118  1
  Mg  Mg4  1  0.251359  0.310558  0.323017  1
  Mg  Mg5  1  0.251359  0.039589  0.306813  1
  Mg  Mg6  1  0.251359  0.766446  0.291142  1
  Mg  Mg7  1  0.499006  0.471486  0.311301  1
  Mg  Mg8  1  0.504629  0.194840  0.295603  1
  Mg  Mg9  1  0.506673  0.922653  0.281118  1
  Mg  Mg10  1  0.751359  0.352554  0.285974  1
  Mg  Mg11  1  0.751359  0.897318  0.318993  1
  Mg  Mg12  1  0.751359  0.631084  0.300112  1
  Mg  Mg13  1  1.001061  0.276155  0.361357  1
  Mg  Mg14  1  0.004225  0.005896  0.346317  1
  Mg  Mg15  1  1.001018  0.736557  0.330138  1
  Mg  Mg16  1  0.251359  0.120748  0.373200  1
  Mg  Mg17  1  0.251359  0.849588  0.356845  1
  Mg  Mg18  1  0.251359  0.579125  0.341211  1
  Mg  Mg19  1  0.501657  0.276155  0.361357  1
  Mg  Mg20  1  0.498493  0.005896  0.346317  1
  Mg  Mg21  1  0.501700  0.736557  0.330138  1
  Mg  Mg22  1  0.751359  0.160742  0.334234  1
  Mg  Mg23  1  0.751359  0.700143  0.367287  1
  Mg  Mg24  1  0.751359  0.432882  0.350187  1
  Mg  Mg25  1  1.001290  0.084216  0.412178  1
  Mg  Mg26  1  1.001286  0.813879  0.395810  1
  Mg  Mg27  1  1.000727  0.543633  0.378703  1
  Mg  Mg28  1  0.251359  0.928841  0.423463  1
  Mg  Mg29  1  0.251359  0.658781  0.407001  1
  Mg  Mg30  1  0.251359  0.388498  0.390036  1
  Mg  Mg31  1  0.501428  0.084216  0.412178  1
  Mg  Mg32  1  0.501432  0.813879  0.395810  1
  Mg  Mg33  1  0.501991  0.543633  0.378703  1
  Mg  Mg34  1  0.751359  0.969414  0.384361  1
  Mg  Mg35  1  0.751359  0.507576  0.417412  1
  Mg  Mg36  1  0.751359  0.239211  0.400337  1
  Mg  Mg37  1  0.001360  0.891434  0.462420  1
  Mg  Mg38  1  1.001347  0.621584  0.445622  1
  Mg  Mg39  1  1.001354  0.352419  0.428707  1
  Mg  Mg40  1  0.251359  0.736598  0.473709  1
  Mg  Mg41  1  0.251359  0.466859  0.456915  1
  Mg  Mg42  1  0.251359  0.197701  0.440229  1
  Mg  Mg43  1  0.501358  0.891434  0.462420  1
  Mg  Mg44  1  0.501371  0.621584  0.445622  1
  Mg  Mg45  1  0.501364  0.352419  0.428707  1
  Mg  Mg46  1  0.751359  0.776523  0.434276  1
  Mg  Mg47  1  0.751359  0.315140  0.467550  1
  Mg  Mg48  1  0.751359  0.046292  0.450943  1
  Mg  Mg49  1  1.001337  0.698969  0.512552  1
  Mg  Mg50  1  0.001375  0.429604  0.495764  1
  Mg  Mg51  1  0.001410  0.160538  0.479098  1
  Mg  Mg52  1  0.251359  0.544215  0.523855  1
  Mg  Mg53  1  0.251359  0.275001  0.507168  1
  Mg  Mg54  1  0.251359  0.005826  0.490488  1
  Mg  Mg55  1  0.501381  0.698969  0.512552  1
  Mg  Mg56  1  0.501344  0.429604  0.495764  1
  Mg  Mg57  1  0.501308  0.160538  0.479098  1
  Mg  Mg58  1  0.751359  0.584326  0.484421  1
  Mg  Mg59  1  0.751359  0.122761  0.517795  1
  Mg  Mg60  1  0.751359  0.853739  0.501168  1
  Mg  Mg61  1  0.001373  0.506980  0.562742  1
  Mg  Mg62  1  0.001440  0.237396  0.545981  1
  Mg  Mg63  1  0.001394  0.968077  0.529351  1
  Mg  Mg64  1  0.251359  0.351977  0.574093  1
  Mg  Mg65  1  0.251359  0.082739  0.557486  1
  Mg  Mg66  1  0.251359  0.813192  0.540626  1
  Mg  Mg67  1  0.501346  0.506980  0.562742  1
  Mg  Mg68  1  0.501278  0.237396  0.545981  1
  Mg  Mg69  1  0.501324  0.968077  0.529351  1
  Mg  Mg70  1  0.751359  0.392170  0.534494  1
  Mg  Mg71  1  0.751359  0.930994  0.568154  1
  Mg  Mg72  1  0.751359  0.661968  0.551315  1
  Mg  Mg73  1  0.001735  0.315199  0.612673  1
  Mg  Mg74  1  0.001490  0.044951  0.596267  1
  Mg  Mg75  1  0.001364  0.775669  0.579651  1
  Mg  Mg76  1  0.251359  0.159947  0.624431  1
  Mg  Mg77  1  0.251359  0.889405  0.607361  1
  Mg  Mg78  1  0.251359  0.620231  0.590942  1
  Mg  Mg79  1  0.500983  0.315199  0.612673  1
  Mg  Mg80  1  0.501228  0.044951  0.596267  1
  Mg  Mg81  1  0.501355  0.775669  0.579651  1
  Mg  Mg82  1  0.751359  0.199874  0.584462  1
  Mg  Mg83  1  0.751359  0.740210  0.618241  1
  Mg  Mg84  1  0.751359  0.470670  0.601112  1
  Mg  Mg85  1  0.999118  0.124182  0.662349  1
  Mg  Mg86  1  1.000646  0.852531  0.646585  1
  Mg  Mg87  1  0.001884  0.583589  0.629968  1
  Mg  Mg88  1  0.251359  0.965018  0.672375  1
  Mg  Mg89  1  0.251359  0.696291  0.657402  1
  Mg  Mg90  1  0.251359  0.426997  0.641284  1
  Mg  Mg91  1  0.503600  0.124182  0.662349  1
  Mg  Mg92  1  0.502072  0.852531  0.646585  1
  Mg  Mg93  1  0.500834  0.583589  0.629968  1
  Mg  Mg94  1  0.751359  0.009094  0.635116  1
  Mg  Mg95  1  0.751359  0.549482  0.666902  1
  Mg  Mg96  1  0.751359  0.280343  0.649890  1
  Mg  Mg97  1  0.006149  0.937383  0.711950  1
  Mg  Mg98  1  0.997922  0.658882  0.696663  1
  Mg  Mg99  1  0.003469  0.389038  0.679249  1
  Mg  Mg100  1  0.251359  0.778398  0.721462  1
  Mg  Mg101  1  0.251359  0.505101  0.706981  1
  Mg  Mg102  1  0.251359  0.228094  0.691968  1
  Mg  Mg103  1  0.496570  0.937383  0.711950  1
  Mg  Mg104  1  0.504796  0.658882  0.696663  1
  Mg  Mg105  1  0.499249  0.389038  0.679249  1
  Mg  Mg106  1  0.751359  0.818741  0.685241  1
  Mg  Mg107  1  0.751359  0.360283  0.714982  1
  Mg  Mg108  1  0.751359  0.090567  0.701071  1
