# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74617281
_cell_length_b   12.84312418
_cell_length_c   49.60503040
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.15774438
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu162
_cell_volume   4294.82843954
_cell_formula_units_Z   162
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  0.551104  0.176127  0.315849  1
  Cu  Cu2  1  0.531262  0.853312  0.300151  1
  Cu  Cu3  1  0.507362  0.531753  0.284880  1
  Cu  Cu4  1  0.884438  0.842793  0.315849  1
  Cu  Cu5  1  0.864595  0.519979  0.300151  1
  Cu  Cu6  1  0.217771  0.509460  0.315849  1
  Cu  Cu7  1  0.840696  0.198420  0.284880  1
  Cu  Cu8  1  0.197929  0.186645  0.300151  1
  Cu  Cu9  1  0.174029  0.865087  0.284880  1
  Cu  Cu10  1  0.640154  0.355790  0.297585  1
  Cu  Cu11  1  0.621000  0.033277  0.282691  1
  Cu  Cu12  1  0.659959  0.676389  0.313521  1
  Cu  Cu13  1  0.973487  0.022457  0.297585  1
  Cu  Cu14  1  0.954333  0.699943  0.282691  1
  Cu  Cu15  1  0.306821  0.689123  0.297585  1
  Cu  Cu16  1  0.993292  0.343056  0.313521  1
  Cu  Cu17  1  0.287667  0.366610  0.282691  1
  Cu  Cu18  1  0.326626  0.009723  0.313521  1
  Cu  Cu19  1  0.621490  0.136694  0.366070  1
  Cu  Cu20  1  0.599265  0.815528  0.349310  1
  Cu  Cu21  1  0.575549  0.494699  0.332751  1
  Cu  Cu22  1  0.954824  0.803360  0.366070  1
  Cu  Cu23  1  0.932598  0.482195  0.349310  1
  Cu  Cu24  1  0.288157  0.470027  0.366070  1
  Cu  Cu25  1  0.908882  0.161366  0.332751  1
  Cu  Cu26  1  0.265932  0.148861  0.349310  1
  Cu  Cu27  1  0.242216  0.828032  0.332751  1
  Cu  Cu28  1  0.705984  0.317491  0.346656  1
  Cu  Cu29  1  0.682526  0.997992  0.330507  1
  Cu  Cu30  1  0.727374  0.637982  0.363477  1
  Cu  Cu31  1  0.039317  0.984157  0.346656  1
  Cu  Cu32  1  0.015860  0.664659  0.330507  1
  Cu  Cu33  1  0.372650  0.650824  0.346656  1
  Cu  Cu34  1  0.060708  0.304649  0.363477  1
  Cu  Cu35  1  0.349193  0.331325  0.330507  1
  Cu  Cu36  1  0.394041  0.971316  0.363477  1
  Cu  Cu37  1  0.690774  0.098104  0.416234  1
  Cu  Cu38  1  0.667854  0.777484  0.399479  1
  Cu  Cu39  1  0.644873  0.456771  0.382736  1
  Cu  Cu40  1  0.024108  0.764770  0.416234  1
  Cu  Cu41  1  1.001187  0.444151  0.399479  1
  Cu  Cu42  1  0.357441  0.431437  0.416234  1
  Cu  Cu43  1  0.978207  0.123437  0.382736  1
  Cu  Cu44  1  0.334521  0.110818  0.399479  1
  Cu  Cu45  1  0.311540  0.790104  0.382736  1
  Cu  Cu46  1  0.772765  0.279441  0.396943  1
  Cu  Cu47  1  0.750005  0.958952  0.380244  1
  Cu  Cu48  1  0.795358  0.599973  0.413690  1
  Cu  Cu49  1  0.106099  0.946108  0.396943  1
  Cu  Cu50  1  0.083338  0.625619  0.380244  1
  Cu  Cu51  1  0.439432  0.612775  0.396943  1
  Cu  Cu52  1  0.128691  0.266640  0.413690  1
  Cu  Cu53  1  0.416671  0.292285  0.380244  1
  Cu  Cu54  1  0.462024  0.933307  0.413690  1
  Cu  Cu55  1  0.759379  0.059798  0.466404  1
  Cu  Cu56  1  0.736483  0.739234  0.449671  1
  Cu  Cu57  1  0.713641  0.418643  0.432936  1
  Cu  Cu58  1  0.092713  0.726465  0.466404  1
  Cu  Cu59  1  0.069816  0.405901  0.449671  1
  Cu  Cu60  1  0.426046  0.393132  0.466404  1
  Cu  Cu61  1  0.046974  0.085310  0.432936  1
  Cu  Cu62  1  0.403149  0.072568  0.449671  1
  Cu  Cu63  1  0.380308  0.751977  0.432936  1
  Cu  Cu64  1  0.841066  0.241165  0.447148  1
  Cu  Cu65  1  0.818241  0.920580  0.430401  1
  Cu  Cu66  1  0.863918  0.561732  0.463869  1
  Cu  Cu67  1  0.174399  0.907831  0.447148  1
  Cu  Cu68  1  0.151574  0.587247  0.430401  1
  Cu  Cu69  1  0.507732  0.574498  0.447148  1
  Cu  Cu70  1  0.197251  0.228399  0.463869  1
  Cu  Cu71  1  0.484907  0.253914  0.430401  1
  Cu  Cu72  1  0.530584  0.895065  0.463869  1
  Cu  Cu73  1  0.827929  0.021541  0.516592  1
  Cu  Cu74  1  0.805072  0.700960  0.499857  1
  Cu  Cu75  1  0.782214  0.380389  0.483131  1
  Cu  Cu76  1  0.161262  0.688208  0.516592  1
  Cu  Cu77  1  0.138405  0.367627  0.499857  1
  Cu  Cu78  1  0.494595  0.354875  0.516592  1
  Cu  Cu79  1  0.115547  0.047055  0.483131  1
  Cu  Cu80  1  0.471739  0.034294  0.499857  1
  Cu  Cu81  1  0.448881  0.713722  0.483131  1
  Cu  Cu82  1  0.909622  0.202889  0.497331  1
  Cu  Cu83  1  0.886766  0.882308  0.480596  1
  Cu  Cu84  1  0.932480  0.523461  0.514057  1
  Cu  Cu85  1  0.242955  0.869556  0.497331  1
  Cu  Cu86  1  0.220099  0.548974  0.480596  1
  Cu  Cu87  1  0.576289  0.536222  0.497331  1
  Cu  Cu88  1  0.265814  0.190127  0.514057  1
  Cu  Cu89  1  0.553432  0.215641  0.480596  1
  Cu  Cu90  1  0.599147  0.856794  0.514057  1
  Cu  Cu91  1  0.896454  0.983269  0.566787  1
  Cu  Cu92  1  0.873629  0.662685  0.550040  1
  Cu  Cu93  1  0.850776  0.342117  0.533319  1
  Cu  Cu94  1  0.229787  0.649935  0.566787  1
  Cu  Cu95  1  0.206962  0.329351  0.550040  1
  Cu  Cu96  1  0.563120  0.316602  0.566787  1
  Cu  Cu97  1  0.184110  0.008784  0.533319  1
  Cu  Cu98  1  0.540295  0.996018  0.550040  1
  Cu  Cu99  1  0.517443  0.675451  0.533319  1
  Cu  Cu100  1  0.978212  0.164615  0.547517  1
  Cu  Cu101  1  0.955315  0.844051  0.530784  1
  Cu  Cu102  1  1.001053  0.485206  0.564252  1
  Cu  Cu103  1  0.311545  0.831281  0.547517  1
  Cu  Cu104  1  0.288648  0.510718  0.530784  1
  Cu  Cu105  1  0.644878  0.497948  0.547517  1
  Cu  Cu106  1  0.334386  0.151873  0.564252  1
  Cu  Cu107  1  0.621982  0.177384  0.530784  1
  Cu  Cu108  1  0.667720  0.818539  0.564252  1
  Cu  Cu109  1  0.964690  0.944897  0.616944  1
  Cu  Cu110  1  0.941929  0.624408  0.600245  1
  Cu  Cu111  1  0.919336  0.303876  0.583498  1
  Cu  Cu112  1  0.298023  0.611564  0.616944  1
  Cu  Cu113  1  0.275262  0.291075  0.600245  1
  Cu  Cu114  1  0.631356  0.278231  0.616944  1
  Cu  Cu115  1  0.252670  0.970542  0.583498  1
  Cu  Cu116  1  0.608596  0.957741  0.600245  1
  Cu  Cu117  1  0.586003  0.637209  0.583498  1
  Cu  Cu118  1  0.046840  0.126365  0.597709  1
  Cu  Cu119  1  0.023920  0.805745  0.580954  1
  Cu  Cu120  1  0.069821  0.447078  0.614452  1
  Cu  Cu121  1  0.380174  0.793031  0.597709  1
  Cu  Cu122  1  0.357253  0.472412  0.580954  1
  Cu  Cu123  1  0.713507  0.459698  0.597709  1
  Cu  Cu124  1  0.403154  0.113745  0.614452  1
  Cu  Cu125  1  0.690586  0.139079  0.580954  1
  Cu  Cu126  1  0.736488  0.780412  0.614452  1
  Cu  Cu127  1  0.032168  0.905857  0.666681  1
  Cu  Cu128  1  0.008711  0.586359  0.650532  1
  Cu  Cu129  1  0.987320  0.265867  0.633711  1
  Cu  Cu130  1  0.365501  0.572524  0.666681  1
  Cu  Cu131  1  0.342044  0.253025  0.650532  1
  Cu  Cu132  1  0.698835  0.239190  0.666681  1
  Cu  Cu133  1  0.320653  0.932533  0.633711  1
  Cu  Cu134  1  0.675377  0.919692  0.650532  1
  Cu  Cu135  1  0.653987  0.599200  0.633711  1
  Cu  Cu136  1  0.115429  0.088321  0.647878  1
  Cu  Cu137  1  0.093204  0.767155  0.631118  1
  Cu  Cu138  1  0.139145  0.409150  0.664437  1
  Cu  Cu139  1  0.448762  0.754988  0.647878  1
  Cu  Cu140  1  0.426537  0.433822  0.631118  1
  Cu  Cu141  1  0.782096  0.421655  0.647878  1
  Cu  Cu142  1  0.472478  0.075817  0.664437  1
  Cu  Cu143  1  0.759870  0.100489  0.631118  1
  Cu  Cu144  1  0.805812  0.742484  0.664437  1
  Cu  Cu145  1  0.093694  0.870572  0.714497  1
  Cu  Cu146  1  0.074540  0.548059  0.699603  1
  Cu  Cu147  1  0.054735  0.227460  0.683667  1
  Cu  Cu148  1  0.427028  0.537239  0.714497  1
  Cu  Cu149  1  0.407873  0.214726  0.699603  1
  Cu  Cu150  1  0.760361  0.203906  0.714497  1
  Cu  Cu151  1  0.388068  0.894127  0.683667  1
  Cu  Cu152  1  0.741207  0.881392  0.699603  1
  Cu  Cu153  1  0.721402  0.560793  0.683667  1
  Cu  Cu154  1  0.183432  0.050537  0.697037  1
  Cu  Cu155  1  0.163590  0.727722  0.681339  1
  Cu  Cu156  1  0.207332  0.372096  0.712308  1
  Cu  Cu157  1  0.516765  0.717204  0.697037  1
  Cu  Cu158  1  0.496923  0.394389  0.681339  1
  Cu  Cu159  1  0.850099  0.383871  0.697037  1
  Cu  Cu160  1  0.540665  0.038763  0.712308  1
  Cu  Cu161  1  0.830257  0.061056  0.681339  1
  Cu  Cu162  1  0.873999  0.705429  0.712308  1
