# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.40095816
_cell_length_b   10.39872823
_cell_length_c   46.06333529
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu180
_cell_volume   4740.35996249
_cell_formula_units_Z   180
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  0.782314  0.115812  0.285524  1
  Cu  Cu2  1  0.114890  0.783235  0.285524  1
  Cu  Cu3  1  0.031853  0.032762  0.311511  1
  Cu  Cu4  1  0.410442  0.073660  0.299024  1
  Cu  Cu5  1  0.743519  0.744466  0.300382  1
  Cu  Cu6  1  0.072695  0.411397  0.299009  1
  Cu  Cu7  1  0.453845  0.454808  0.283708  1
  Cu  Cu8  1  0.359302  0.697277  0.310303  1
  Cu  Cu9  1  0.696335  0.360235  0.310303  1
  Cu  Cu10  1  0.506447  0.842136  0.318264  1
  Cu  Cu11  1  0.841199  0.507370  0.318256  1
  Cu  Cu12  1  0.889643  0.890561  0.308711  1
  Cu  Cu13  1  0.262818  0.930615  0.291446  1
  Cu  Cu14  1  0.598239  0.599193  0.293484  1
  Cu  Cu15  1  0.929666  0.263745  0.291450  1
  Cu  Cu16  1  0.305008  0.305963  0.278770  1
  Cu  Cu17  1  0.225070  0.545853  0.304829  1
  Cu  Cu18  1  0.544937  0.225998  0.304812  1
  Cu  Cu19  1  0.655972  0.994537  0.323726  1
  Cu  Cu20  1  0.993598  0.656873  0.323725  1
  Cu  Cu21  1  0.921202  0.922066  0.359646  1
  Cu  Cu22  1  0.288442  0.961887  0.341740  1
  Cu  Cu23  1  0.628515  0.629395  0.343926  1
  Cu  Cu24  1  0.961000  0.289363  0.341743  1
  Cu  Cu25  1  0.328336  0.329180  0.329072  1
  Cu  Cu26  1  0.253284  0.582612  0.356525  1
  Cu  Cu27  1  0.581759  0.254123  0.356510  1
  Cu  Cu28  1  0.395024  0.733190  0.363077  1
  Cu  Cu29  1  0.732313  0.395885  0.363078  1
  Cu  Cu30  1  0.776025  0.776908  0.350302  1
  Cu  Cu31  1  0.141017  0.810108  0.335339  1
  Cu  Cu32  1  0.479862  0.480769  0.334517  1
  Cu  Cu33  1  0.809254  0.141922  0.335340  1
  Cu  Cu34  1  0.180235  0.181187  0.316272  1
  Cu  Cu35  1  0.101708  0.441638  0.349789  1
  Cu  Cu36  1  0.440789  0.102529  0.349800  1
  Cu  Cu37  1  0.544681  0.876453  0.371098  1
  Cu  Cu38  1  0.875626  0.545503  0.371086  1
  Cu  Cu39  1  0.803511  0.804329  0.402834  1
  Cu  Cu40  1  0.171655  0.839644  0.387829  1
  Cu  Cu41  1  0.509485  0.510334  0.387317  1
  Cu  Cu42  1  0.838827  0.172495  0.387832  1
  Cu  Cu43  1  0.212608  0.213450  0.370796  1
  Cu  Cu44  1  0.131617  0.468700  0.402697  1
  Cu  Cu45  1  0.467897  0.132394  0.402704  1
  Cu  Cu46  1  0.281347  0.612138  0.409804  1
  Cu  Cu47  1  0.611330  0.282141  0.409794  1
  Cu  Cu48  1  0.656267  0.657055  0.396474  1
  Cu  Cu49  1  0.025412  0.690064  0.377914  1
  Cu  Cu50  1  0.360338  0.361136  0.381456  1
  Cu  Cu51  1  0.689233  0.026269  0.377916  1
  Cu  Cu52  1  0.065628  0.066501  0.364509  1
  Cu  Cu53  1  0.987276  0.320261  0.394522  1
  Cu  Cu54  1  0.319438  0.988080  0.394519  1
  Cu  Cu55  1  0.424975  0.761398  0.417033  1
  Cu  Cu56  1  0.760603  0.425743  0.417034  1
  Cu  Cu57  1  0.683635  0.684367  0.449462  1
  Cu  Cu58  1  0.054413  0.719522  0.432043  1
  Cu  Cu59  1  0.389272  0.390033  0.434327  1
  Cu  Cu60  1  0.718755  0.055204  0.432044  1
  Cu  Cu61  1  0.095511  0.096300  0.418100  1
  Cu  Cu62  1  0.015072  0.348531  0.447810  1
  Cu  Cu63  1  0.347771  0.015816  0.447807  1
  Cu  Cu64  1  0.160606  0.496176  0.455946  1
  Cu  Cu65  1  0.495431  0.161332  0.455948  1
  Cu  Cu66  1  0.537025  0.537793  0.440635  1
  Cu  Cu67  1  0.905018  0.574663  0.424902  1
  Cu  Cu68  1  0.242397  0.243183  0.425105  1
  Cu  Cu69  1  0.573904  0.905790  0.424911  1
  Cu  Cu70  1  0.949435  0.950237  0.412053  1
  Cu  Cu71  1  0.867670  0.201033  0.440858  1
  Cu  Cu72  1  0.200273  0.868411  0.440853  1
  Cu  Cu73  1  0.309378  0.641330  0.463120  1
  Cu  Cu74  1  0.640594  0.310101  0.463114  1
  Cu  Cu75  1  0.565116  0.565814  0.493962  1
  Cu  Cu76  1  0.934271  0.603605  0.478543  1
  Cu  Cu77  1  0.271065  0.271784  0.479012  1
  Cu  Cu78  1  0.602904  0.934986  0.478551  1
  Cu  Cu79  1  0.977471  0.978196  0.464862  1
  Cu  Cu80  1  0.896391  0.229401  0.494106  1
  Cu  Cu81  1  0.228708  0.897068  0.494100  1
  Cu  Cu82  1  0.043089  0.377001  0.501191  1
  Cu  Cu83  1  0.376306  0.043766  0.501190  1
  Cu  Cu84  1  0.417810  0.418505  0.487438  1
  Cu  Cu85  1  0.789441  0.454752  0.470788  1
  Cu  Cu86  1  0.124196  0.124923  0.471581  1
  Cu  Cu87  1  0.454049  0.790166  0.470787  1
  Cu  Cu88  1  0.830953  0.831708  0.455996  1
  Cu  Cu89  1  0.747959  0.083866  0.485806  1
  Cu  Cu90  1  0.083153  0.748650  0.485806  1
  Cu  Cu91  1  0.189203  0.524252  0.509302  1
  Cu  Cu92  1  0.523578  0.189859  0.509301  1
  Cu  Cu93  1  0.446331  0.446962  0.540749  1
  Cu  Cu94  1  0.818279  0.483531  0.524506  1
  Cu  Cu95  1  0.152911  0.153573  0.525050  1
  Cu  Cu96  1  0.482896  0.818935  0.524506  1
  Cu  Cu97  1  0.859002  0.859685  0.509311  1
  Cu  Cu98  1  0.776695  0.112579  0.539344  1
  Cu  Cu99  1  0.111937  0.777318  0.539346  1
  Cu  Cu100  1  0.925092  0.257533  0.547443  1
  Cu  Cu101  1  0.256911  0.925702  0.547435  1
  Cu  Cu102  1  0.299771  0.300416  0.532753  1
  Cu  Cu103  1  0.669387  0.338446  0.516449  1
  Cu  Cu104  1  0.005823  0.006478  0.518097  1
  Cu  Cu105  1  0.337790  0.670059  0.516454  1
  Cu  Cu106  1  0.711635  0.712307  0.502687  1
  Cu  Cu107  1  0.631859  0.963764  0.532195  1
  Cu  Cu108  1  0.963118  0.632493  0.532188  1
  Cu  Cu109  1  0.071155  0.405382  0.554500  1
  Cu  Cu110  1  0.404755  0.071764  0.554500  1
  Cu  Cu111  1  0.328680  0.329249  0.586555  1
  Cu  Cu112  1  0.697910  0.367148  0.569691  1
  Cu  Cu113  1  0.034457  0.035037  0.571686  1
  Cu  Cu114  1  0.366559  0.698514  0.569696  1
  Cu  Cu115  1  0.739674  0.740278  0.556080  1
  Cu  Cu116  1  0.660958  0.992557  0.585895  1
  Cu  Cu117  1  0.991977  0.661529  0.585888  1
  Cu  Cu118  1  0.804860  0.141666  0.592691  1
  Cu  Cu119  1  0.141095  0.805411  0.592696  1
  Cu  Cu120  1  0.181949  0.182546  0.578550  1
  Cu  Cu121  1  0.551740  0.218181  0.562638  1
  Cu  Cu122  1  0.887299  0.887917  0.562564  1
  Cu  Cu123  1  0.217594  0.552343  0.562641  1
  Cu  Cu124  1  0.593372  0.594000  0.547203  1
  Cu  Cu125  1  0.511481  0.848136  0.578356  1
  Cu  Cu126  1  0.847549  0.512047  0.578357  1
  Cu  Cu127  1  0.953793  0.284820  0.600705  1
  Cu  Cu128  1  0.284262  0.954335  0.600694  1
  Cu  Cu129  1  0.211245  0.211780  0.632234  1
  Cu  Cu130  1  0.579395  0.245830  0.615852  1
  Cu  Cu131  1  0.915964  0.916516  0.615583  1
  Cu  Cu132  1  0.245323  0.579922  0.615856  1
  Cu  Cu133  1  0.621805  0.622370  0.600198  1
  Cu  Cu134  1  0.540726  0.877766  0.632574  1
  Cu  Cu135  1  0.877255  0.541233  0.632577  1
  Cu  Cu136  1  0.691157  0.021253  0.639755  1
  Cu  Cu137  1  0.020766  0.691659  0.639748  1
  Cu  Cu138  1  0.063375  0.063888  0.625703  1
  Cu  Cu139  1  0.432628  0.099078  0.607628  1
  Cu  Cu140  1  0.767690  0.768229  0.609450  1
  Cu  Cu141  1  0.098539  0.433194  0.607628  1
  Cu  Cu142  1  0.475030  0.475587  0.594233  1
  Cu  Cu143  1  0.395662  0.726859  0.622761  1
  Cu  Cu144  1  0.726319  0.396190  0.622755  1
  Cu  Cu145  1  0.832941  0.171325  0.645924  1
  Cu  Cu146  1  0.170827  0.833437  0.645933  1
  Cu  Cu147  1  0.095453  0.095877  0.679952  1
  Cu  Cu148  1  0.461992  0.124810  0.660301  1
  Cu  Cu149  1  0.796416  0.796858  0.662394  1
  Cu  Cu150  1  0.124342  0.462479  0.660303  1
  Cu  Cu151  1  0.503895  0.504380  0.648010  1
  Cu  Cu152  1  0.427460  0.757057  0.675184  1
  Cu  Cu153  1  0.756572  0.427915  0.675180  1
  Cu  Cu154  1  0.574766  0.909189  0.686937  1
  Cu  Cu155  1  0.908771  0.575159  0.686940  1
  Cu  Cu156  1  0.946080  0.946560  0.668131  1
  Cu  Cu157  1  0.310918  0.983426  0.653512  1
  Cu  Cu158  1  0.650613  0.651115  0.652869  1
  Cu  Cu159  1  0.982940  0.311417  0.653527  1
  Cu  Cu160  1  0.357633  0.358125  0.640590  1
  Cu  Cu161  1  0.273443  0.609218  0.668512  1
  Cu  Cu162  1  0.608757  0.273879  0.668508  1
  Cu  Cu163  1  0.726219  0.056165  0.692641  1
  Cu  Cu164  1  0.055748  0.726635  0.692636  1
  Cu  Cu165  1  0.972673  0.973090  0.717949  1
  Cu  Cu166  1  0.342324  0.015630  0.703889  1
  Cu  Cu167  1  0.679502  0.679907  0.704136  1
  Cu  Cu168  1  0.015246  0.342708  0.703908  1
  Cu  Cu169  1  0.394325  0.394746  0.693411  1
  Cu  Cu170  1  0.302056  0.636410  0.719019  1
  Cu  Cu171  1  0.636001  0.302456  0.719013  1
  Cu  Cu172  1  0.447620  0.786456  0.725083  1
  Cu  Cu173  1  0.786040  0.448012  0.725080  1
  Cu  Cu174  1  0.824874  0.825261  0.712715  1
  Cu  Cu175  1  0.207448  0.862984  0.697751  1
  Cu  Cu176  1  0.538308  0.538739  0.700699  1
  Cu  Cu177  1  0.862566  0.207867  0.697742  1
  Cu  Cu178  1  0.247616  0.248056  0.684920  1
  Cu  Cu179  1  0.157367  0.490857  0.710627  1
  Cu  Cu180  1  0.490439  0.157772  0.710624  1
