# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76158099
_cell_length_b   8.76099728
_cell_length_c   48.45469611
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.16564439
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu108
_cell_volume   2865.98860512
_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
  Cu  Cu1  1  0.400197  0.002592  0.301312  1
  Cu  Cu2  1  0.752993  0.975398  0.317154  1
  Cu  Cu3  1  0.045362  0.026103  0.286262  1
  Cu  Cu4  1  0.597487  0.779687  0.284510  1
  Cu  Cu5  1  0.953061  0.752640  0.299964  1
  Cu  Cu6  1  0.306300  0.729186  0.315814  1
  Cu  Cu7  1  0.369748  0.540801  0.278422  1
  Cu  Cu8  1  0.721955  0.514540  0.293470  1
  Cu  Cu9  1  0.076102  0.487598  0.309279  1
  Cu  Cu10  1  0.492649  0.277425  0.287334  1
  Cu  Cu11  1  0.845398  0.248700  0.302622  1
  Cu  Cu12  1  0.199898  0.224050  0.318553  1
  Cu  Cu13  1  0.465398  0.919620  0.350509  1
  Cu  Cu14  1  0.819681  0.892096  0.367211  1
  Cu  Cu15  1  0.109411  0.947438  0.334235  1
  Cu  Cu16  1  0.663088  0.699145  0.332533  1
  Cu  Cu17  1  0.019165  0.671259  0.349108  1
  Cu  Cu18  1  0.373934  0.645339  0.365921  1
  Cu  Cu19  1  0.431709  0.462059  0.326257  1
  Cu  Cu20  1  0.787317  0.432796  0.342210  1
  Cu  Cu21  1  0.141502  0.405595  0.359031  1
  Cu  Cu22  1  0.555140  0.194894  0.335713  1
  Cu  Cu23  1  0.910598  0.166558  0.351845  1
  Cu  Cu24  1  0.265016  0.139966  0.368760  1
  Cu  Cu25  1  0.530142  0.837665  0.400763  1
  Cu  Cu26  1  0.885070  0.810115  0.417480  1
  Cu  Cu27  1  0.174842  0.865015  0.384029  1
  Cu  Cu28  1  0.729832  0.617228  0.382511  1
  Cu  Cu29  1  0.085160  0.589902  0.399283  1
  Cu  Cu30  1  0.440558  0.562731  0.416037  1
  Cu  Cu31  1  0.497101  0.378797  0.375863  1
  Cu  Cu32  1  0.852442  0.350894  0.392341  1
  Cu  Cu33  1  0.207543  0.323723  0.409180  1
  Cu  Cu34  1  0.619988  0.112249  0.385586  1
  Cu  Cu35  1  0.974840  0.084897  0.402214  1
  Cu  Cu36  1  0.329788  0.057658  0.419051  1
  Cu  Cu37  1  0.595589  0.755276  0.450968  1
  Cu  Cu38  1  0.950716  0.727792  0.467678  1
  Cu  Cu39  1  0.240326  0.782742  0.434210  1
  Cu  Cu40  1  0.795828  0.535089  0.432679  1
  Cu  Cu41  1  0.151049  0.507750  0.449444  1
  Cu  Cu42  1  0.506336  0.480306  0.466162  1
  Cu  Cu43  1  0.562918  0.296325  0.425888  1
  Cu  Cu44  1  0.918050  0.268856  0.442566  1
  Cu  Cu45  1  0.273210  0.241498  0.459342  1
  Cu  Cu46  1  0.684981  0.030124  0.435781  1
  Cu  Cu47  1  0.040029  0.002692  0.452492  1
  Cu  Cu48  1  0.395182  0.975256  0.469245  1
  Cu  Cu49  1  0.661131  0.672891  0.501155  1
  Cu  Cu50  1  0.016271  0.645434  0.517874  1
  Cu  Cu51  1  0.305935  0.700365  0.484413  1
  Cu  Cu52  1  0.861501  0.452840  0.482862  1
  Cu  Cu53  1  0.216711  0.425421  0.499609  1
  Cu  Cu54  1  0.571903  0.397973  0.516337  1
  Cu  Cu55  1  0.628410  0.214032  0.476060  1
  Cu  Cu56  1  0.983542  0.186585  0.492778  1
  Cu  Cu57  1  0.338725  0.159154  0.509528  1
  Cu  Cu58  1  0.750373  0.947792  0.485977  1
  Cu  Cu59  1  0.105521  0.920342  0.502698  1
  Cu  Cu60  1  0.460705  0.892941  0.519435  1
  Cu  Cu61  1  0.726680  0.590502  0.551357  1
  Cu  Cu62  1  0.081827  0.563078  0.568053  1
  Cu  Cu63  1  0.371502  0.618017  0.534601  1
  Cu  Cu64  1  0.927049  0.370505  0.533042  1
  Cu  Cu65  1  0.282268  0.343056  0.549796  1
  Cu  Cu66  1  0.637388  0.315606  0.566538  1
  Cu  Cu67  1  0.693876  0.131701  0.526264  1
  Cu  Cu68  1  0.049062  0.104235  0.542975  1
  Cu  Cu69  1  0.404236  0.076844  0.559748  1
  Cu  Cu70  1  0.815903  0.865446  0.536159  1
  Cu  Cu71  1  0.171095  0.838035  0.552876  1
  Cu  Cu72  1  0.526317  0.810686  0.569601  1
  Cu  Cu73  1  0.792191  0.508148  0.601600  1
  Cu  Cu74  1  0.147191  0.481030  0.618191  1
  Cu  Cu75  1  0.437046  0.535661  0.584767  1
  Cu  Cu76  1  0.992501  0.288168  0.583213  1
  Cu  Cu77  1  0.347575  0.260774  0.600044  1
  Cu  Cu78  1  0.702550  0.233233  0.616731  1
  Cu  Cu79  1  0.759447  0.049305  0.576464  1
  Cu  Cu80  1  0.114688  0.021974  0.593185  1
  Cu  Cu81  1  0.469957  0.994590  0.609990  1
  Cu  Cu82  1  0.881700  0.783038  0.586322  1
  Cu  Cu83  1  0.236746  0.755984  0.603038  1
  Cu  Cu84  1  0.592271  0.728442  0.619659  1
  Cu  Cu85  1  0.857411  0.426234  0.651840  1
  Cu  Cu86  1  0.213027  0.398806  0.667904  1
  Cu  Cu87  1  0.502192  0.453315  0.634979  1
  Cu  Cu88  1  0.057490  0.206111  0.633432  1
  Cu  Cu89  1  0.411766  0.178520  0.650360  1
  Cu  Cu90  1  0.767780  0.149932  0.666496  1
  Cu  Cu91  1  0.825611  0.966423  0.626644  1
  Cu  Cu92  1  0.180162  0.940078  0.643435  1
  Cu  Cu93  1  0.536109  0.912366  0.660108  1
  Cu  Cu94  1  0.948429  0.700940  0.636563  1
  Cu  Cu95  1  0.302631  0.674788  0.653113  1
  Cu  Cu96  1  0.658573  0.645797  0.669262  1
  Cu  Cu97  1  0.923606  0.344190  0.700854  1
  Cu  Cu98  1  0.278423  0.319907  0.715876  1
  Cu  Cu99  1  0.569885  0.368630  0.684942  1
  Cu  Cu100  1  0.122552  0.123164  0.683445  1
  Cu  Cu101  1  0.475363  0.095803  0.699482  1
  Cu  Cu102  1  0.826782  0.070593  0.714470  1
  Cu  Cu103  1  0.891754  0.882185  0.676874  1
  Cu  Cu104  1  0.246035  0.857589  0.692777  1
  Cu  Cu105  1  0.600626  0.830355  0.708556  1
  Cu  Cu106  1  0.016079  0.617649  0.686500  1
  Cu  Cu107  1  0.370797  0.592097  0.701806  1
  Cu  Cu108  1  0.723478  0.564350  0.716980  1
