# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38597841
_cell_length_b   16.77890035
_cell_length_c   46.11344923
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.54014490
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu128
_cell_volume   3364.23240433
_cell_formula_units_Z   128
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  0.952646  0.946430  0.278957  1
  Cu  Cu2  1  0.194463  0.440738  0.291509  1
  Cu  Cu3  1  0.667636  0.068001  0.281583  1
  Cu  Cu4  1  0.913342  0.564861  0.294834  1
  Cu  Cu5  1  0.072159  0.192075  0.284853  1
  Cu  Cu6  1  0.318005  0.689048  0.298182  1
  Cu  Cu7  1  0.475453  0.316538  0.288089  1
  Cu  Cu8  1  0.726426  0.813337  0.300896  1
  Cu  Cu9  1  0.445040  0.936680  0.304625  1
  Cu  Cu10  1  0.691512  0.435094  0.318377  1
  Cu  Cu11  1  0.168080  0.062875  0.308566  1
  Cu  Cu12  1  0.411621  0.559356  0.321660  1
  Cu  Cu13  1  0.569298  0.186766  0.311691  1
  Cu  Cu14  1  0.815215  0.683534  0.325077  1
  Cu  Cu15  1  0.971646  0.310925  0.314880  1
  Cu  Cu16  1  0.219729  0.807982  0.328104  1
  Cu  Cu17  1  0.941064  0.932040  0.332687  1
  Cu  Cu18  1  0.188503  0.429326  0.346071  1
  Cu  Cu19  1  0.665129  0.055897  0.335852  1
  Cu  Cu20  1  0.911071  0.553576  0.349409  1
  Cu  Cu21  1  0.065043  0.180863  0.339395  1
  Cu  Cu22  1  0.311936  0.677834  0.352803  1
  Cu  Cu23  1  0.465911  0.305084  0.342645  1
  Cu  Cu24  1  0.714194  0.801821  0.356064  1
  Cu  Cu25  1  0.437667  0.925994  0.359937  1
  Cu  Cu26  1  0.685487  0.423538  0.373770  1
  Cu  Cu27  1  0.162312  0.050557  0.363661  1
  Cu  Cu28  1  0.408618  0.547810  0.377119  1
  Cu  Cu29  1  0.561969  0.174777  0.366971  1
  Cu  Cu30  1  0.809110  0.671994  0.380548  1
  Cu  Cu31  1  0.962090  0.299276  0.370336  1
  Cu  Cu32  1  0.210556  0.796172  0.383909  1
  Cu  Cu33  1  0.934295  0.920246  0.387888  1
  Cu  Cu34  1  0.182517  0.417677  0.401657  1
  Cu  Cu35  1  0.658735  0.044593  0.391408  1
  Cu  Cu36  1  0.905776  0.541947  0.405045  1
  Cu  Cu37  1  0.058660  0.169065  0.394881  1
  Cu  Cu38  1  0.306209  0.666186  0.408466  1
  Cu  Cu39  1  0.458970  0.293344  0.398224  1
  Cu  Cu40  1  0.707279  0.790303  0.411917  1
  Cu  Cu41  1  0.431035  0.914498  0.415630  1
  Cu  Cu42  1  0.679474  0.411825  0.429491  1
  Cu  Cu43  1  0.155352  0.038844  0.419256  1
  Cu  Cu44  1  0.402933  0.536120  0.432892  1
  Cu  Cu45  1  0.555526  0.163174  0.422665  1
  Cu  Cu46  1  0.803376  0.660354  0.436338  1
  Cu  Cu47  1  0.955830  0.287542  0.426068  1
  Cu  Cu48  1  0.204227  0.784566  0.439806  1
  Cu  Cu49  1  0.927917  0.908737  0.443511  1
  Cu  Cu50  1  0.176491  0.405993  0.457346  1
  Cu  Cu51  1  0.652035  0.033025  0.447064  1
  Cu  Cu52  1  0.900057  0.530278  0.460762  1
  Cu  Cu53  1  0.052381  0.157369  0.450520  1
  Cu  Cu54  1  0.300508  0.654545  0.464207  1
  Cu  Cu55  1  0.452762  0.281679  0.453915  1
  Cu  Cu56  1  0.701234  0.778755  0.467715  1
  Cu  Cu57  1  0.424901  0.902964  0.471345  1
  Cu  Cu58  1  0.673481  0.400153  0.485190  1
  Cu  Cu59  1  0.148820  0.027228  0.474915  1
  Cu  Cu60  1  0.397183  0.524452  0.488612  1
  Cu  Cu61  1  0.549294  0.151533  0.478349  1
  Cu  Cu62  1  0.797652  0.648728  0.492072  1
  Cu  Cu63  1  0.949712  0.275851  0.481763  1
  Cu  Cu64  1  0.198304  0.772973  0.495583  1
  Cu  Cu65  1  0.921922  0.897172  0.499222  1
  Cu  Cu66  1  0.170480  0.394318  0.513035  1
  Cu  Cu67  1  0.645646  0.021419  0.502759  1
  Cu  Cu68  1  0.894298  0.518627  0.516470  1
  Cu  Cu69  1  0.046217  0.145706  0.506201  1
  Cu  Cu70  1  0.294794  0.642916  0.519920  1
  Cu  Cu71  1  0.446680  0.270013  0.509612  1
  Cu  Cu72  1  0.695384  0.767179  0.523463  1
  Cu  Cu73  1  0.418979  0.891393  0.527085  1
  Cu  Cu74  1  0.667489  0.388489  0.540879  1
  Cu  Cu75  1  0.142469  0.015598  0.530625  1
  Cu  Cu76  1  0.391409  0.512792  0.544307  1
  Cu  Cu77  1  0.543144  0.139879  0.534044  1
  Cu  Cu78  1  0.791937  0.637120  0.547776  1
  Cu  Cu79  1  0.943649  0.264170  0.537458  1
  Cu  Cu80  1  0.192486  0.761401  0.551299  1
  Cu  Cu81  1  0.915996  0.885582  0.554991  1
  Cu  Cu82  1  0.164448  0.382635  0.568720  1
  Cu  Cu83  1  0.639285  0.009791  0.558496  1
  Cu  Cu84  1  0.888503  0.506986  0.572171  1
  Cu  Cu85  1  0.040080  0.134034  0.561906  1
  Cu  Cu86  1  0.289105  0.631295  0.575596  1
  Cu  Cu87  1  0.440636  0.258336  0.565316  1
  Cu  Cu88  1  0.689535  0.755643  0.579183  1
  Cu  Cu89  1  0.413044  0.879849  0.582866  1
  Cu  Cu90  1  0.661483  0.376818  0.596552  1
  Cu  Cu91  1  0.135961  0.003938  0.586379  1
  Cu  Cu92  1  0.385539  0.501104  0.599973  1
  Cu  Cu93  1  0.536972  0.128205  0.589743  1
  Cu  Cu94  1  0.786227  0.625552  0.603445  1
  Cu  Cu95  1  0.937628  0.252476  0.593154  1
  Cu  Cu96  1  0.186583  0.749877  0.606928  1
  Cu  Cu97  1  0.909886  0.873972  0.610874  1
  Cu  Cu98  1  0.158351  0.370938  0.624416  1
  Cu  Cu99  1  0.632656  0.998144  0.614305  1
  Cu  Cu100  1  0.882449  0.495368  0.627898  1
  Cu  Cu101  1  0.033878  0.122319  0.617649  1
  Cu  Cu102  1  0.283366  0.619560  0.631220  1
  Cu  Cu103  1  0.434647  0.246612  0.621058  1
  Cu  Cu104  1  0.683430  0.744159  0.634890  1
  Cu  Cu105  1  0.406961  0.868352  0.638673  1
  Cu  Cu106  1  0.655428  0.365042  0.652087  1
  Cu  Cu107  1  0.128794  0.992244  0.642090  1
  Cu  Cu108  1  0.379109  0.489338  0.655534  1
  Cu  Cu109  1  0.530759  0.116557  0.645344  1
  Cu  Cu110  1  0.780093  0.614225  0.658983  1
  Cu  Cu111  1  0.932249  0.240781  0.648757  1
  Cu  Cu112  1  0.181163  0.738129  0.662126  1
  Cu  Cu113  1  0.904074  0.862029  0.666670  1
  Cu  Cu114  1  0.152474  0.359182  0.679766  1
  Cu  Cu115  1  0.623794  0.986625  0.669823  1
  Cu  Cu116  1  0.872830  0.483378  0.683229  1
  Cu  Cu117  1  0.027897  0.110833  0.673051  1
  Cu  Cu118  1  0.276609  0.607461  0.686398  1
  Cu  Cu119  1  0.431845  0.235004  0.676510  1
  Cu  Cu120  1  0.677443  0.733058  0.690210  1
  Cu  Cu121  1  0.399714  0.857068  0.693765  1
  Cu  Cu122  1  0.649767  0.353614  0.706643  1
  Cu  Cu123  1  0.119508  0.981169  0.696742  1
  Cu  Cu124  1  0.367958  0.477510  0.710090  1
  Cu  Cu125  1  0.525109  0.105280  0.699917  1
  Cu  Cu126  1  0.770890  0.601418  0.713240  1
  Cu  Cu127  1  0.930125  0.229419  0.703331  1
  Cu  Cu128  1  0.169785  0.724633  0.715790  1
