# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23160688
_cell_length_b   12.20623056
_cell_length_c   46.99572601
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.02311266
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu102
_cell_volume   2390.37357202
_cell_formula_units_Z   102
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  0.085726  0.979453  0.278328  1
  Cu  Cu2  1  0.240874  0.305770  0.285458  1
  Cu  Cu3  1  0.406418  0.635476  0.293737  1
  Cu  Cu4  1  0.498672  0.142141  0.281362  1
  Cu  Cu5  1  0.660187  0.470622  0.289627  1
  Cu  Cu6  1  0.832190  0.800475  0.297036  1
  Cu  Cu7  1  0.573805  0.964439  0.301326  1
  Cu  Cu8  1  0.735428  0.296553  0.310235  1
  Cu  Cu9  1  0.900308  0.625963  0.318472  1
  Cu  Cu10  1  0.991054  0.131812  0.306148  1
  Cu  Cu11  1  0.156747  0.461105  0.314315  1
  Cu  Cu12  1  0.324160  0.791439  0.322315  1
  Cu  Cu13  1  0.066021  0.955464  0.328162  1
  Cu  Cu14  1  0.231537  0.285859  0.336432  1
  Cu  Cu15  1  0.394788  0.615750  0.344797  1
  Cu  Cu16  1  0.484718  0.119860  0.331980  1
  Cu  Cu17  1  0.650494  0.450980  0.340623  1
  Cu  Cu18  1  0.816452  0.779978  0.348891  1
  Cu  Cu19  1  0.560417  0.944863  0.353674  1
  Cu  Cu20  1  0.724768  0.275227  0.362501  1
  Cu  Cu21  1  0.889085  0.605297  0.371052  1
  Cu  Cu22  1  0.980135  0.110397  0.358272  1
  Cu  Cu23  1  0.145517  0.440430  0.366770  1
  Cu  Cu24  1  0.311050  0.770093  0.375266  1
  Cu  Cu25  1  0.053918  0.934603  0.380240  1
  Cu  Cu26  1  0.219052  0.264941  0.388996  1
  Cu  Cu27  1  0.383300  0.594837  0.397545  1
  Cu  Cu28  1  0.475180  0.099681  0.384578  1
  Cu  Cu29  1  0.640612  0.429895  0.393253  1
  Cu  Cu30  1  0.805523  0.759500  0.401883  1
  Cu  Cu31  1  0.548289  0.924310  0.406509  1
  Cu  Cu32  1  0.713397  0.254416  0.415342  1
  Cu  Cu33  1  0.877938  0.584365  0.423990  1
  Cu  Cu34  1  0.970127  0.089406  0.411001  1
  Cu  Cu35  1  0.135360  0.419485  0.419662  1
  Cu  Cu36  1  0.300232  0.749217  0.428342  1
  Cu  Cu37  1  0.042849  0.913990  0.432960  1
  Cu  Cu38  1  0.208010  0.244027  0.441770  1
  Cu  Cu39  1  0.372684  0.573964  0.450433  1
  Cu  Cu40  1  0.464945  0.078975  0.437380  1
  Cu  Cu41  1  0.630064  0.409004  0.446088  1
  Cu  Cu42  1  0.794947  0.738804  0.454827  1
  Cu  Cu43  1  0.537578  0.903643  0.459358  1
  Cu  Cu44  1  0.702654  0.233582  0.468167  1
  Cu  Cu45  1  0.867453  0.563535  0.476865  1
  Cu  Cu46  1  0.959761  0.068602  0.463801  1
  Cu  Cu47  1  0.124766  0.398595  0.472508  1
  Cu  Cu48  1  0.289706  0.728438  0.481273  1
  Cu  Cu49  1  0.032331  0.893278  0.485796  1
  Cu  Cu50  1  0.197345  0.223175  0.494586  1
  Cu  Cu51  1  0.362249  0.553139  0.503294  1
  Cu  Cu52  1  0.454555  0.058193  0.490214  1
  Cu  Cu53  1  0.619459  0.388157  0.498922  1
  Cu  Cu54  1  0.784473  0.718054  0.507712  1
  Cu  Cu55  1  0.527098  0.882893  0.512235  1
  Cu  Cu56  1  0.692038  0.212737  0.521000  1
  Cu  Cu57  1  0.857043  0.542730  0.529707  1
  Cu  Cu58  1  0.949351  0.047797  0.516643  1
  Cu  Cu59  1  0.114150  0.377750  0.525341  1
  Cu  Cu60  1  0.279226  0.707689  0.534150  1
  Cu  Cu61  1  0.021857  0.872528  0.538681  1
  Cu  Cu62  1  0.186740  0.202327  0.547420  1
  Cu  Cu63  1  0.351859  0.532357  0.556128  1
  Cu  Cu64  1  0.444120  0.037368  0.543075  1
  Cu  Cu65  1  0.608794  0.367305  0.551738  1
  Cu  Cu66  1  0.773956  0.697342  0.560548  1
  Cu  Cu67  1  0.516572  0.862115  0.565166  1
  Cu  Cu68  1  0.681444  0.191847  0.573846  1
  Cu  Cu69  1  0.846677  0.521926  0.582506  1
  Cu  Cu70  1  0.938866  0.026966  0.569518  1
  Cu  Cu71  1  0.103408  0.356915  0.578166  1
  Cu  Cu72  1  0.268515  0.687022  0.586999  1
  Cu  Cu73  1  0.011281  0.851832  0.591625  1
  Cu  Cu74  1  0.176192  0.181437  0.600255  1
  Cu  Cu75  1  0.341624  0.511651  0.608929  1
  Cu  Cu76  1  0.433504  0.016495  0.595963  1
  Cu  Cu77  1  0.597752  0.346391  0.604512  1
  Cu  Cu78  1  0.762886  0.676729  0.613268  1
  Cu  Cu79  1  0.505754  0.841239  0.618242  1
  Cu  Cu80  1  0.671287  0.170902  0.626738  1
  Cu  Cu81  1  0.836669  0.500934  0.635236  1
  Cu  Cu82  1  0.927720  0.006034  0.622456  1
  Cu  Cu83  1  0.092036  0.336104  0.631007  1
  Cu  Cu84  1  0.256387  0.666469  0.639834  1
  Cu  Cu85  1  1.000352  0.831354  0.644617  1
  Cu  Cu86  1  0.166310  0.160352  0.652885  1
  Cu  Cu87  1  0.332087  0.491471  0.661528  1
  Cu  Cu88  1  0.422016  0.995582  0.648711  1
  Cu  Cu89  1  0.585267  0.325473  0.657076  1
  Cu  Cu90  1  0.750783  0.655868  0.665346  1
  Cu  Cu91  1  0.492644  0.819893  0.671193  1
  Cu  Cu92  1  0.660057  0.150226  0.679193  1
  Cu  Cu93  1  0.825750  0.479520  0.687360  1
  Cu  Cu94  1  0.916496  0.985369  0.675036  1
  Cu  Cu95  1  0.081377  0.314779  0.683273  1
  Cu  Cu96  1  0.242999  0.646893  0.692182  1
  Cu  Cu97  1  0.984614  0.810857  0.696472  1
  Cu  Cu98  1  0.156617  0.140710  0.703881  1
  Cu  Cu99  1  0.318132  0.469191  0.712146  1
  Cu  Cu100  1  0.410386  0.975856  0.699771  1
  Cu  Cu101  1  0.575930  0.305562  0.708050  1
  Cu  Cu102  1  0.731078  0.631878  0.715180  1
