# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38675338
_cell_length_b   12.67431858
_cell_length_c   46.00709603
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.00145066
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu96
_cell_volume   2519.08128003
_cell_formula_units_Z   96
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  0.333884  0.984222  0.279601  1
  Cu  Cu2  1  0.489597  0.310980  0.287620  1
  Cu  Cu3  1  0.654143  0.640585  0.296457  1
  Cu  Cu4  1  0.753087  0.147320  0.283225  1
  Cu  Cu5  1  0.914284  0.475833  0.292066  1
  Cu  Cu6  1  0.082942  0.805237  0.300367  1
  Cu  Cu7  1  0.823171  0.969533  0.305141  1
  Cu  Cu8  1  0.985541  0.301394  0.314585  1
  Cu  Cu9  1  0.149765  0.630762  0.323410  1
  Cu  Cu10  1  0.244000  0.136547  0.310172  1
  Cu  Cu11  1  0.409073  0.465965  0.318961  1
  Cu  Cu12  1  0.574960  0.796143  0.327578  1
  Cu  Cu13  1  0.316873  0.960466  0.333274  1
  Cu  Cu14  1  0.482357  0.290739  0.342212  1
  Cu  Cu15  1  0.645783  0.620736  0.351125  1
  Cu  Cu16  1  0.736925  0.124959  0.337492  1
  Cu  Cu17  1  0.901984  0.455838  0.346690  1
  Cu  Cu18  1  0.067503  0.785216  0.355548  1
  Cu  Cu19  1  0.811841  0.950035  0.360507  1
  Cu  Cu20  1  0.976458  0.280200  0.369826  1
  Cu  Cu21  1  0.140757  0.610321  0.378894  1
  Cu  Cu22  1  0.231645  0.115343  0.365309  1
  Cu  Cu23  1  0.396547  0.445396  0.374358  1
  Cu  Cu24  1  0.561893  0.775157  0.383379  1
  Cu  Cu25  1  0.305982  0.939779  0.388473  1
  Cu  Cu26  1  0.471077  0.269990  0.397732  1
  Cu  Cu27  1  0.635407  0.599931  0.406795  1
  Cu  Cu28  1  0.726361  0.104812  0.393072  1
  Cu  Cu29  1  0.891455  0.434952  0.402254  1
  Cu  Cu30  1  0.056404  0.764695  0.411388  1
  Cu  Cu31  1  0.800568  0.929531  0.416216  1
  Cu  Cu32  1  0.965634  0.259567  0.425527  1
  Cu  Cu33  1  0.130203  0.589552  0.434670  1
  Cu  Cu34  1  0.221198  0.094567  0.420934  1
  Cu  Cu35  1  0.386206  0.424629  0.430094  1
  Cu  Cu36  1  0.551138  0.754441  0.439269  1
  Cu  Cu37  1  0.295230  0.919252  0.444102  1
  Cu  Cu38  1  0.460335  0.249248  0.453384  1
  Cu  Cu39  1  0.625030  0.579225  0.462536  1
  Cu  Cu40  1  0.715994  0.084220  0.448754  1
  Cu  Cu41  1  0.880953  0.414245  0.457949  1
  Cu  Cu42  1  0.045897  0.744100  0.467179  1
  Cu  Cu43  1  0.790002  0.908963  0.471937  1
  Cu  Cu44  1  0.955043  0.238894  0.481217  1
  Cu  Cu45  1  0.119851  0.568879  0.490401  1
  Cu  Cu46  1  0.210807  0.073907  0.476613  1
  Cu  Cu47  1  0.375698  0.403908  0.485794  1
  Cu  Cu48  1  0.540694  0.733804  0.495045  1
  Cu  Cu49  1  0.284786  0.898652  0.499817  1
  Cu  Cu50  1  0.449783  0.228548  0.509068  1
  Cu  Cu51  1  0.614673  0.558549  0.518249  1
  Cu  Cu52  1  0.705630  0.063577  0.504461  1
  Cu  Cu53  1  0.870437  0.393562  0.513645  1
  Cu  Cu54  1  0.035479  0.723493  0.522925  1
  Cu  Cu55  1  0.779584  0.888356  0.527683  1
  Cu  Cu56  1  0.944527  0.218211  0.536913  1
  Cu  Cu57  1  0.109487  0.548235  0.546108  1
  Cu  Cu58  1  0.200450  0.053231  0.532326  1
  Cu  Cu59  1  0.365146  0.383208  0.541478  1
  Cu  Cu60  1  0.530250  0.713203  0.550760  1
  Cu  Cu61  1  0.274343  0.878015  0.555593  1
  Cu  Cu62  1  0.439274  0.207827  0.564768  1
  Cu  Cu63  1  0.604282  0.537889  0.573928  1
  Cu  Cu64  1  0.695278  0.042904  0.560192  1
  Cu  Cu65  1  0.859846  0.372889  0.569335  1
  Cu  Cu66  1  0.024913  0.702925  0.578646  1
  Cu  Cu67  1  0.769076  0.867760  0.583474  1
  Cu  Cu68  1  0.934026  0.197504  0.592608  1
  Cu  Cu69  1  0.099119  0.527644  0.601790  1
  Cu  Cu70  1  0.190073  0.032525  0.588067  1
  Cu  Cu71  1  0.354403  0.362466  0.597130  1
  Cu  Cu72  1  0.519498  0.692676  0.606389  1
  Cu  Cu73  1  0.263587  0.857299  0.611484  1
  Cu  Cu74  1  0.428934  0.187060  0.620504  1
  Cu  Cu75  1  0.593835  0.517113  0.629553  1
  Cu  Cu76  1  0.684724  0.022134  0.615968  1
  Cu  Cu77  1  0.849023  0.352255  0.625036  1
  Cu  Cu78  1  0.013639  0.682420  0.634355  1
  Cu  Cu79  1  0.757977  0.847239  0.639314  1
  Cu  Cu80  1  0.923497  0.176618  0.648172  1
  Cu  Cu81  1  0.088556  0.507497  0.657370  1
  Cu  Cu82  1  0.179698  0.011720  0.643737  1
  Cu  Cu83  1  0.343124  0.341717  0.652650  1
  Cu  Cu84  1  0.508607  0.671990  0.661588  1
  Cu  Cu85  1  0.250520  0.836312  0.667284  1
  Cu  Cu86  1  0.416407  0.166491  0.675901  1
  Cu  Cu87  1  0.581480  0.495909  0.684690  1
  Cu  Cu88  1  0.675716  1.001694  0.671452  1
  Cu  Cu89  1  0.839940  0.331062  0.680277  1
  Cu  Cu90  1  1.002310  0.662923  0.689721  1
  Cu  Cu91  1  0.742539  0.827219  0.694495  1
  Cu  Cu92  1  0.911197  0.156623  0.702796  1
  Cu  Cu93  1  0.072394  0.485136  0.711637  1
  Cu  Cu94  1  0.171338  0.991870  0.698405  1
  Cu  Cu95  1  0.335883  0.321475  0.707242  1
  Cu  Cu96  1  0.491597  0.648234  0.715261  1
