# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76158614
_cell_length_b   8.76100088
_cell_length_c   48.45466871
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.16565041
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu108
_cell_volume   2865.99032869
_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  0.400196  0.002585  0.301312  1
  Cu  Cu2  1  0.752991  0.975393  0.317155  1
  Cu  Cu3  1  0.045361  0.026099  0.286262  1
  Cu  Cu4  1  0.597486  0.779682  0.284511  1
  Cu  Cu5  1  0.953060  0.752635  0.299965  1
  Cu  Cu6  1  0.306298  0.729180  0.315814  1
  Cu  Cu7  1  0.369747  0.540797  0.278422  1
  Cu  Cu8  1  0.721954  0.514536  0.293470  1
  Cu  Cu9  1  0.076100  0.487593  0.309279  1
  Cu  Cu10  1  0.492646  0.277420  0.287335  1
  Cu  Cu11  1  0.845396  0.248696  0.302622  1
  Cu  Cu12  1  0.199897  0.224045  0.318554  1
  Cu  Cu13  1  0.465398  0.919614  0.350510  1
  Cu  Cu14  1  0.819680  0.892091  0.367212  1
  Cu  Cu15  1  0.109411  0.947433  0.334236  1
  Cu  Cu16  1  0.663084  0.699141  0.332533  1
  Cu  Cu17  1  0.019163  0.671255  0.349108  1
  Cu  Cu18  1  0.373932  0.645334  0.365921  1
  Cu  Cu19  1  0.431707  0.462054  0.326257  1
  Cu  Cu20  1  0.787316  0.432792  0.342210  1
  Cu  Cu21  1  0.141501  0.405591  0.359031  1
  Cu  Cu22  1  0.555140  0.194889  0.335713  1
  Cu  Cu23  1  0.910598  0.166554  0.351846  1
  Cu  Cu24  1  0.265016  0.139961  0.368760  1
  Cu  Cu25  1  0.530140  0.837661  0.400763  1
  Cu  Cu26  1  0.885069  0.810112  0.417480  1
  Cu  Cu27  1  0.174840  0.865011  0.384029  1
  Cu  Cu28  1  0.729829  0.617223  0.382511  1
  Cu  Cu29  1  0.085158  0.589898  0.399284  1
  Cu  Cu30  1  0.440557  0.562726  0.416038  1
  Cu  Cu31  1  0.497100  0.378792  0.375863  1
  Cu  Cu32  1  0.852442  0.350890  0.392341  1
  Cu  Cu33  1  0.207542  0.323719  0.409180  1
  Cu  Cu34  1  0.619988  0.112246  0.385587  1
  Cu  Cu35  1  0.974838  0.084893  0.402214  1
  Cu  Cu36  1  0.329786  0.057654  0.419051  1
  Cu  Cu37  1  0.595587  0.755271  0.450968  1
  Cu  Cu38  1  0.950715  0.727788  0.467678  1
  Cu  Cu39  1  0.240325  0.782738  0.434211  1
  Cu  Cu40  1  0.795827  0.535085  0.432679  1
  Cu  Cu41  1  0.151048  0.507746  0.449445  1
  Cu  Cu42  1  0.506335  0.480302  0.466162  1
  Cu  Cu43  1  0.562917  0.296321  0.425888  1
  Cu  Cu44  1  0.918049  0.268851  0.442566  1
  Cu  Cu45  1  0.273209  0.241494  0.459342  1
  Cu  Cu46  1  0.684979  0.030120  0.435781  1
  Cu  Cu47  1  0.040027  0.002689  0.452492  1
  Cu  Cu48  1  0.395180  0.975253  0.469245  1
  Cu  Cu49  1  0.661130  0.672887  0.501156  1
  Cu  Cu50  1  0.016271  0.645430  0.517874  1
  Cu  Cu51  1  0.305934  0.700361  0.484413  1
  Cu  Cu52  1  0.861500  0.452835  0.482863  1
  Cu  Cu53  1  0.216710  0.425417  0.499609  1
  Cu  Cu54  1  0.571903  0.397969  0.516338  1
  Cu  Cu55  1  0.628409  0.214027  0.476061  1
  Cu  Cu56  1  0.983541  0.186581  0.492778  1
  Cu  Cu57  1  0.338725  0.159149  0.509528  1
  Cu  Cu58  1  0.750371  0.947788  0.485978  1
  Cu  Cu59  1  0.105520  0.920339  0.502698  1
  Cu  Cu60  1  0.460704  0.892938  0.519435  1
  Cu  Cu61  1  0.726680  0.590499  0.551357  1
  Cu  Cu62  1  0.081826  0.563074  0.568054  1
  Cu  Cu63  1  0.371502  0.618013  0.534601  1
  Cu  Cu64  1  0.927049  0.370501  0.533042  1
  Cu  Cu65  1  0.282267  0.343053  0.549796  1
  Cu  Cu66  1  0.637388  0.315602  0.566539  1
  Cu  Cu67  1  0.693877  0.131697  0.526264  1
  Cu  Cu68  1  0.049063  0.104231  0.542976  1
  Cu  Cu69  1  0.404236  0.076840  0.559748  1
  Cu  Cu70  1  0.815903  0.865442  0.536159  1
  Cu  Cu71  1  0.171095  0.838032  0.552876  1
  Cu  Cu72  1  0.526317  0.810682  0.569601  1
  Cu  Cu73  1  0.792192  0.508144  0.601600  1
  Cu  Cu74  1  0.147191  0.481026  0.618191  1
  Cu  Cu75  1  0.437047  0.535657  0.584767  1
  Cu  Cu76  1  0.992501  0.288164  0.583213  1
  Cu  Cu77  1  0.347574  0.260770  0.600044  1
  Cu  Cu78  1  0.702550  0.233229  0.616731  1
  Cu  Cu79  1  0.759448  0.049301  0.576464  1
  Cu  Cu80  1  0.114688  0.021970  0.593185  1
  Cu  Cu81  1  0.469959  0.994585  0.609991  1
  Cu  Cu82  1  0.881702  0.783034  0.586322  1
  Cu  Cu83  1  0.236748  0.755980  0.603038  1
  Cu  Cu84  1  0.592271  0.728438  0.619659  1
  Cu  Cu85  1  0.857411  0.426230  0.651841  1
  Cu  Cu86  1  0.213027  0.398802  0.667904  1
  Cu  Cu87  1  0.502191  0.453310  0.634980  1
  Cu  Cu88  1  0.057489  0.206107  0.633432  1
  Cu  Cu89  1  0.411765  0.178516  0.650360  1
  Cu  Cu90  1  0.767779  0.149928  0.666497  1
  Cu  Cu91  1  0.825611  0.966419  0.626645  1
  Cu  Cu92  1  0.180162  0.940074  0.643436  1
  Cu  Cu93  1  0.536110  0.912361  0.660108  1
  Cu  Cu94  1  0.948430  0.700936  0.636563  1
  Cu  Cu95  1  0.302631  0.674784  0.653113  1
  Cu  Cu96  1  0.658573  0.645792  0.669262  1
  Cu  Cu97  1  0.923605  0.344186  0.700854  1
  Cu  Cu98  1  0.278422  0.319903  0.715876  1
  Cu  Cu99  1  0.569885  0.368626  0.684942  1
  Cu  Cu100  1  0.122552  0.123159  0.683445  1
  Cu  Cu101  1  0.475363  0.095800  0.699482  1
  Cu  Cu102  1  0.826782  0.070589  0.714470  1
  Cu  Cu103  1  0.891755  0.882180  0.676874  1
  Cu  Cu104  1  0.246035  0.857586  0.692777  1
  Cu  Cu105  1  0.600626  0.830351  0.708557  1
  Cu  Cu106  1  0.016080  0.617644  0.686501  1
  Cu  Cu107  1  0.370797  0.592093  0.701806  1
  Cu  Cu108  1  0.723480  0.564346  0.716981  1
