# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.70826101
_cell_length_b   8.67319144
_cell_length_c   48.29766068
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.17546183
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu108
_cell_volume   2805.74141852
_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  0.374076  0.543056  0.276851  1
  Cu  Cu2  1  0.725751  0.513639  0.291935  1
  Cu  Cu3  1  0.077081  0.485718  0.307431  1
  Cu  Cu4  1  0.636878  0.238707  0.305380  1
  Cu  Cu5  1  0.989273  0.213026  0.322756  1
  Cu  Cu6  1  0.279079  0.266383  0.290239  1
  Cu  Cu7  1  0.401859  0.997747  0.299093  1
  Cu  Cu8  1  0.754232  0.973541  0.316646  1
  Cu  Cu9  1  0.041783  0.028198  0.284374  1
  Cu  Cu10  1  0.521332  0.733550  0.310030  1
  Cu  Cu11  1  0.808650  0.789253  0.278261  1
  Cu  Cu12  1  0.165145  0.760386  0.292754  1
  Cu  Cu13  1  0.434590  0.456625  0.324918  1
  Cu  Cu14  1  0.788228  0.430830  0.341213  1
  Cu  Cu15  1  0.143591  0.402720  0.357532  1
  Cu  Cu16  1  0.698670  0.156797  0.355945  1
  Cu  Cu17  1  0.054513  0.128170  0.372559  1
  Cu  Cu18  1  0.345585  0.181991  0.339025  1
  Cu  Cu19  1  0.464673  0.916930  0.349417  1
  Cu  Cu20  1  0.820316  0.889844  0.366145  1
  Cu  Cu21  1  0.111401  0.944198  0.332638  1
  Cu  Cu22  1  0.587306  0.650399  0.359455  1
  Cu  Cu23  1  0.877972  0.706009  0.326509  1
  Cu  Cu24  1  0.231878  0.676884  0.342383  1
  Cu  Cu25  1  0.498104  0.374733  0.374533  1
  Cu  Cu26  1  0.853798  0.347591  0.391118  1
  Cu  Cu27  1  0.208296  0.319930  0.407792  1
  Cu  Cu28  1  0.764483  0.073040  0.406159  1
  Cu  Cu29  1  0.119534  0.045082  0.422845  1
  Cu  Cu30  1  0.409160  0.100259  0.389442  1
  Cu  Cu31  1  0.530693  0.833952  0.399517  1
  Cu  Cu32  1  0.885899  0.806343  0.416198  1
  Cu  Cu33  1  0.175515  0.861183  0.382681  1
  Cu  Cu34  1  0.652642  0.567319  0.409460  1
  Cu  Cu35  1  0.942803  0.622530  0.376129  1
  Cu  Cu36  1  0.297441  0.594851  0.392661  1
  Cu  Cu37  1  0.563646  0.292324  0.424559  1
  Cu  Cu38  1  0.918796  0.264790  0.441257  1
  Cu  Cu39  1  0.273858  0.237164  0.457937  1
  Cu  Cu40  1  0.829931  0.989928  0.456339  1
  Cu  Cu41  1  0.185082  0.962268  0.473039  1
  Cu  Cu42  1  0.474743  0.017507  0.439635  1
  Cu  Cu43  1  0.596286  0.751038  0.449613  1
  Cu  Cu44  1  0.951492  0.723456  0.466312  1
  Cu  Cu45  1  0.241076  0.778628  0.432858  1
  Cu  Cu46  1  0.717983  0.484571  0.459560  1
  Cu  Cu47  1  0.007785  0.539765  0.426168  1
  Cu  Cu48  1  0.362808  0.512150  0.442815  1
  Cu  Cu49  1  0.629101  0.209572  0.474681  1
  Cu  Cu50  1  0.984286  0.181975  0.491389  1
  Cu  Cu51  1  0.339422  0.154371  0.508082  1
  Cu  Cu52  1  0.895484  0.907065  0.506491  1
  Cu  Cu53  1  0.250640  0.879454  0.523181  1
  Cu  Cu54  1  0.540309  0.934651  0.489787  1
  Cu  Cu55  1  0.661892  0.668222  0.499730  1
  Cu  Cu56  1  0.017084  0.640620  0.516434  1
  Cu  Cu57  1  0.306669  0.695826  0.482994  1
  Cu  Cu58  1  0.783486  0.401758  0.509683  1
  Cu  Cu59  1  0.073162  0.456955  0.476267  1
  Cu  Cu60  1  0.428275  0.429350  0.492948  1
  Cu  Cu61  1  0.694682  0.126761  0.524825  1
  Cu  Cu62  1  0.049821  0.099160  0.541541  1
  Cu  Cu63  1  0.404942  0.071545  0.558223  1
  Cu  Cu64  1  0.961012  0.824290  0.556625  1
  Cu  Cu65  1  0.316136  0.796709  0.573276  1
  Cu  Cu66  1  0.605902  0.851846  0.539929  1
  Cu  Cu67  1  0.727530  0.585439  0.549853  1
  Cu  Cu68  1  0.082679  0.557817  0.566555  1
  Cu  Cu69  1  0.372277  0.613009  0.533107  1
  Cu  Cu70  1  0.848999  0.318950  0.559834  1
  Cu  Cu71  1  0.138650  0.374122  0.526401  1
  Cu  Cu72  1  0.493808  0.346495  0.543079  1
  Cu  Cu73  1  0.760243  0.043959  0.575000  1
  Cu  Cu74  1  0.115263  0.016324  0.591726  1
  Cu  Cu75  1  0.470167  0.988823  0.608378  1
  Cu  Cu76  1  0.026397  0.741601  0.606741  1
  Cu  Cu77  1  0.381550  0.714040  0.623254  1
  Cu  Cu78  1  0.671496  0.769152  0.590079  1
  Cu  Cu79  1  0.793148  0.502732  0.599992  1
  Cu  Cu80  1  0.148299  0.474963  0.616649  1
  Cu  Cu81  1  0.437930  0.530167  0.583179  1
  Cu  Cu82  1  0.914373  0.236290  0.610024  1
  Cu  Cu83  1  0.204144  0.291203  0.576562  1
  Cu  Cu84  1  0.559238  0.263521  0.593219  1
  Cu  Cu85  1  0.825945  0.961143  0.625221  1
  Cu  Cu86  1  0.180072  0.933186  0.642018  1
  Cu  Cu87  1  0.535793  0.905684  0.658279  1
  Cu  Cu88  1  0.092373  0.658981  0.656687  1
  Cu  Cu89  1  0.446266  0.630716  0.672739  1
  Cu  Cu90  1  0.737185  0.686333  0.640267  1
  Cu  Cu91  1  0.858946  0.420594  0.650189  1
  Cu  Cu92  1  0.212694  0.391695  0.666595  1
  Cu  Cu93  1  0.503538  0.446900  0.633176  1
  Cu  Cu94  1  0.977874  0.154177  0.660205  1
  Cu  Cu95  1  0.269303  0.207966  0.626788  1
  Cu  Cu96  1  0.624963  0.180282  0.643384  1
  Cu  Cu97  1  0.891165  0.878482  0.675266  1
  Cu  Cu98  1  0.246141  0.849465  0.692101  1
  Cu  Cu99  1  0.599882  0.822419  0.707148  1
  Cu  Cu100  1  0.157089  0.575509  0.705991  1
  Cu  Cu101  1  0.508503  0.546195  0.720804  1
  Cu  Cu102  1  0.804239  0.605459  0.690133  1
  Cu  Cu103  1  0.921404  0.338222  0.700073  1
  Cu  Cu104  1  0.280454  0.307400  0.714818  1
  Cu  Cu105  1  0.569506  0.364203  0.682671  1
  Cu  Cu106  1  0.044687  0.070768  0.708633  1
  Cu  Cu107  1  0.334486  0.123007  0.676514  1
  Cu  Cu108  1  0.685541  0.099228  0.693656  1
