# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04349754
_cell_length_b   8.03285695
_cell_length_c   47.33663767
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu112
_cell_volume   2996.73257881
_cell_formula_units_Z   112
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  0.621020  0.870714  0.330682  1
  Cu  Cu2  1  0.119552  0.371535  0.331404  1
  Cu  Cu3  1  0.203643  0.955933  0.299827  1
  Cu  Cu4  1  0.704975  0.459051  0.300026  1
  Cu  Cu5  1  0.868464  0.623284  0.330720  1
  Cu  Cu6  1  0.369209  0.121887  0.331401  1
  Cu  Cu7  1  0.456467  0.707390  0.300017  1
  Cu  Cu8  1  0.953484  0.206089  0.299831  1
  Cu  Cu9  1  0.577168  0.579385  0.346357  1
  Cu  Cu10  1  0.245275  0.248060  0.285771  1
  Cu  Cu11  1  0.164668  0.663434  0.314825  1
  Cu  Cu12  1  0.661224  0.166922  0.314823  1
  Cu  Cu13  1  0.908918  0.911109  0.313801  1
  Cu  Cu14  1  0.411905  0.414105  0.314597  1
  Cu  Cu15  1  0.494101  1.000623  0.286147  1
  Cu  Cu16  1  0.997841  0.496892  0.286155  1
  Cu  Cu17  1  0.452051  0.704004  0.393116  1
  Cu  Cu18  1  0.951880  0.203888  0.392876  1
  Cu  Cu19  1  0.035882  0.788323  0.361194  1
  Cu  Cu20  1  0.536140  0.288259  0.361615  1
  Cu  Cu21  1  0.702087  0.453976  0.393116  1
  Cu  Cu22  1  0.201993  0.953788  0.392876  1
  Cu  Cu23  1  0.286216  0.538182  0.361615  1
  Cu  Cu24  1  0.786277  0.037894  0.361186  1
  Cu  Cu25  1  0.410136  0.411934  0.408710  1
  Cu  Cu26  1  0.076575  0.078762  0.345783  1
  Cu  Cu27  1  0.993544  0.497111  0.377525  1
  Cu  Cu28  1  0.495117  0.995534  0.377511  1
  Cu  Cu29  1  0.744137  0.746170  0.377501  1
  Cu  Cu30  1  0.243805  0.245813  0.377700  1
  Cu  Cu31  1  0.328654  0.830073  0.346089  1
  Cu  Cu32  1  0.827875  0.330838  0.346094  1
  Cu  Cu33  1  0.283951  0.535721  0.455715  1
  Cu  Cu34  1  0.784207  0.035506  0.455674  1
  Cu  Cu35  1  0.867980  0.620016  0.424485  1
  Cu  Cu36  1  0.368283  0.119552  0.424437  1
  Cu  Cu37  1  0.534186  0.285484  0.455713  1
  Cu  Cu38  1  0.033971  0.785743  0.455677  1
  Cu  Cu39  1  0.117834  0.369998  0.424441  1
  Cu  Cu40  1  0.618280  0.869713  0.424482  1
  Cu  Cu41  1  0.242036  0.243482  0.471383  1
  Cu  Cu42  1  0.910130  0.911923  0.408481  1
  Cu  Cu43  1  0.826090  0.327588  0.440033  1
  Cu  Cu44  1  0.325954  0.827726  0.440034  1
  Cu  Cu45  1  0.576046  0.577686  0.440114  1
  Cu  Cu46  1  0.076019  0.077647  0.439936  1
  Cu  Cu47  1  0.159891  0.662222  0.408595  1
  Cu  Cu48  1  0.660427  0.161678  0.408590  1
  Cu  Cu49  1  0.115966  0.367242  0.518383  1
  Cu  Cu50  1  0.616059  0.867154  0.518461  1
  Cu  Cu51  1  0.700051  0.451333  0.487099  1
  Cu  Cu52  1  0.199962  0.951414  0.487028  1
  Cu  Cu53  1  0.366064  0.117144  0.518382  1
  Cu  Cu54  1  0.865972  0.617242  0.518462  1
  Cu  Cu55  1  0.950053  0.201323  0.487027  1
  Cu  Cu56  1  0.449968  0.701417  0.487100  1
  Cu  Cu57  1  0.073950  0.075037  0.534048  1
  Cu  Cu58  1  0.742059  0.743517  0.471474  1
  Cu  Cu59  1  0.658159  0.159184  0.502757  1
  Cu  Cu60  1  0.157914  0.659429  0.502760  1
  Cu  Cu61  1  0.408030  0.409300  0.502755  1
  Cu  Cu62  1  0.908024  0.909293  0.502760  1
  Cu  Cu63  1  0.991969  0.493587  0.471434  1
  Cu  Cu64  1  0.492134  0.993422  0.471433  1
  Cu  Cu65  1  0.948171  0.198385  0.581121  1
  Cu  Cu66  1  0.447714  0.699003  0.581155  1
  Cu  Cu67  1  0.532142  0.282875  0.549790  1
  Cu  Cu68  1  0.031853  0.783122  0.549848  1
  Cu  Cu69  1  0.197562  0.948992  0.581127  1
  Cu  Cu70  1  0.698158  0.448554  0.581151  1
  Cu  Cu71  1  0.782118  0.032854  0.549845  1
  Cu  Cu72  1  0.281873  0.533146  0.549792  1
  Cu  Cu73  1  0.906021  0.906764  0.597058  1
  Cu  Cu74  1  0.573985  0.575087  0.534142  1
  Cu  Cu75  1  0.490033  0.990830  0.565408  1
  Cu  Cu76  1  0.989925  0.490939  0.565410  1
  Cu  Cu77  1  0.239979  0.240876  0.565296  1
  Cu  Cu78  1  0.740017  0.740929  0.565505  1
  Cu  Cu79  1  0.824073  0.324963  0.534099  1
  Cu  Cu80  1  0.323867  0.825169  0.534101  1
  Cu  Cu81  1  0.780215  0.030815  0.644245  1
  Cu  Cu82  1  0.279871  0.530697  0.643783  1
  Cu  Cu83  1  0.363787  0.114646  0.612209  1
  Cu  Cu84  1  0.864038  0.614614  0.612465  1
  Cu  Cu85  1  0.030333  0.780691  0.644241  1
  Cu  Cu86  1  0.530219  0.280318  0.643777  1
  Cu  Cu87  1  0.613989  0.864676  0.612465  1
  Cu  Cu88  1  0.114042  0.364400  0.612209  1
  Cu  Cu89  1  0.737848  0.738179  0.659259  1
  Cu  Cu90  1  0.405945  0.406676  0.596764  1
  Cu  Cu91  1  0.320860  0.823793  0.628156  1
  Cu  Cu92  1  0.823222  0.321419  0.628138  1
  Cu  Cu93  1  0.071567  0.072147  0.628449  1
  Cu  Cu94  1  0.571755  0.572370  0.628066  1
  Cu  Cu95  1  0.656264  0.156435  0.596902  1
  Cu  Cu96  1  0.155708  0.657001  0.596907  1
  Cu  Cu97  1  0.610227  0.862254  0.704945  1
  Cu  Cu98  1  0.112128  0.361553  0.704655  1
  Cu  Cu99  1  0.195704  0.947026  0.675537  1
  Cu  Cu100  1  0.698571  0.444703  0.674302  1
  Cu  Cu101  1  0.862202  0.610066  0.704936  1
  Cu  Cu102  1  0.361646  0.112051  0.704659  1
  Cu  Cu103  1  0.444363  0.698938  0.674343  1
  Cu  Cu104  1  0.946618  0.196117  0.675533  1
  Cu  Cu105  1  0.570683  0.570405  0.718359  1
  Cu  Cu106  1  0.237889  0.238183  0.658739  1
  Cu  Cu107  1  0.156864  0.653944  0.690885  1
  Cu  Cu108  1  0.653718  0.157199  0.690895  1
  Cu  Cu109  1  0.902949  0.903177  0.690605  1
  Cu  Cu110  1  0.402814  0.403061  0.690009  1
  Cu  Cu111  1  0.488787  0.990116  0.658992  1
  Cu  Cu112  1  0.989803  0.489076  0.658985  1
