# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04487188
_cell_length_b   8.04069680
_cell_length_c   47.27793210
_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   2996.44911631
_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  0.620892  0.869462  0.331192  1
  Cu  Cu2  1  0.119434  0.370268  0.331921  1
  Cu  Cu3  1  0.203468  0.954564  0.300322  1
  Cu  Cu4  1  0.704809  0.457620  0.300512  1
  Cu  Cu5  1  0.868301  0.622058  0.331207  1
  Cu  Cu6  1  0.369077  0.120628  0.331920  1
  Cu  Cu7  1  0.456330  0.706034  0.300509  1
  Cu  Cu8  1  0.953326  0.204704  0.300323  1
  Cu  Cu9  1  0.577045  0.578193  0.346871  1
  Cu  Cu10  1  0.245131  0.246500  0.286259  1
  Cu  Cu11  1  0.164468  0.662137  0.315304  1
  Cu  Cu12  1  0.660992  0.165630  0.315304  1
  Cu  Cu13  1  0.908764  0.909901  0.314306  1
  Cu  Cu14  1  0.411687  0.412827  0.315078  1
  Cu  Cu15  1  0.493839  0.999163  0.286631  1
  Cu  Cu16  1  0.997795  0.495210  0.286634  1
  Cu  Cu17  1  0.451971  0.703031  0.393659  1
  Cu  Cu18  1  0.951791  0.202935  0.393420  1
  Cu  Cu19  1  0.035752  0.787219  0.361710  1
  Cu  Cu20  1  0.536008  0.287173  0.362132  1
  Cu  Cu21  1  0.701999  0.453006  0.393658  1
  Cu  Cu22  1  0.201912  0.952819  0.393421  1
  Cu  Cu23  1  0.286093  0.537088  0.362132  1
  Cu  Cu24  1  0.786138  0.036820  0.361707  1
  Cu  Cu25  1  0.410062  0.411048  0.409261  1
  Cu  Cu26  1  0.076465  0.077602  0.346308  1
  Cu  Cu27  1  0.993426  0.496091  0.378055  1
  Cu  Cu28  1  0.495029  0.994487  0.378049  1
  Cu  Cu29  1  0.744048  0.745125  0.378032  1
  Cu  Cu30  1  0.243720  0.244787  0.378244  1
  Cu  Cu31  1  0.328525  0.828880  0.346604  1
  Cu  Cu32  1  0.827739  0.329660  0.346606  1
  Cu  Cu33  1  0.283915  0.535036  0.456296  1
  Cu  Cu34  1  0.784173  0.034817  0.456255  1
  Cu  Cu35  1  0.867918  0.619189  0.425047  1
  Cu  Cu36  1  0.368230  0.118723  0.425003  1
  Cu  Cu37  1  0.534153  0.284797  0.456295  1
  Cu  Cu38  1  0.033934  0.785057  0.456256  1
  Cu  Cu39  1  0.117769  0.369183  0.425005  1
  Cu  Cu40  1  0.618228  0.868879  0.425045  1
  Cu  Cu41  1  0.242015  0.242864  0.471976  1
  Cu  Cu42  1  0.910050  0.911034  0.409029  1
  Cu  Cu43  1  0.826041  0.326831  0.440606  1
  Cu  Cu44  1  0.325909  0.826964  0.440606  1
  Cu  Cu45  1  0.576002  0.576926  0.440687  1
  Cu  Cu46  1  0.075972  0.076891  0.440508  1
  Cu  Cu47  1  0.159809  0.661330  0.409143  1
  Cu  Cu48  1  0.660345  0.160790  0.409141  1
  Cu  Cu49  1  0.115984  0.366829  0.519004  1
  Cu  Cu50  1  0.616081  0.866737  0.519083  1
  Cu  Cu51  1  0.700045  0.450779  0.487702  1
  Cu  Cu52  1  0.199955  0.950862  0.487629  1
  Cu  Cu53  1  0.366085  0.116729  0.519003  1
  Cu  Cu54  1  0.865991  0.616827  0.519083  1
  Cu  Cu55  1  0.950046  0.200771  0.487628  1
  Cu  Cu56  1  0.449962  0.700863  0.487702  1
  Cu  Cu57  1  0.073983  0.074692  0.534679  1
  Cu  Cu58  1  0.742041  0.742894  0.472066  1
  Cu  Cu59  1  0.658168  0.158699  0.503369  1
  Cu  Cu60  1  0.157919  0.658948  0.503370  1
  Cu  Cu61  1  0.408037  0.408817  0.503367  1
  Cu  Cu62  1  0.908031  0.908811  0.503371  1
  Cu  Cu63  1  0.991947  0.492969  0.472026  1
  Cu  Cu64  1  0.492118  0.992799  0.472026  1
  Cu  Cu65  1  0.948250  0.198239  0.581785  1
  Cu  Cu66  1  0.447790  0.698854  0.581815  1
  Cu  Cu67  1  0.532191  0.282596  0.550432  1
  Cu  Cu68  1  0.031900  0.782845  0.550489  1
  Cu  Cu69  1  0.197632  0.948856  0.581787  1
  Cu  Cu70  1  0.698239  0.448403  0.581814  1
  Cu  Cu71  1  0.782168  0.032575  0.550488  1
  Cu  Cu72  1  0.281920  0.532868  0.550433  1
  Cu  Cu73  1  0.906115  0.906691  0.597730  1
  Cu  Cu74  1  0.574021  0.574736  0.534774  1
  Cu  Cu75  1  0.490091  0.990620  0.566058  1
  Cu  Cu76  1  0.989982  0.490730  0.566058  1
  Cu  Cu77  1  0.240037  0.240672  0.565945  1
  Cu  Cu78  1  0.740077  0.740718  0.566154  1
  Cu  Cu79  1  0.824109  0.324613  0.534731  1
  Cu  Cu80  1  0.323900  0.824822  0.534732  1
  Cu  Cu81  1  0.780353  0.030944  0.644943  1
  Cu  Cu82  1  0.280006  0.530829  0.644484  1
  Cu  Cu83  1  0.363880  0.114657  0.612886  1
  Cu  Cu84  1  0.864131  0.614612  0.613141  1
  Cu  Cu85  1  0.030470  0.780824  0.644942  1
  Cu  Cu86  1  0.530356  0.280466  0.644482  1
  Cu  Cu87  1  0.614083  0.864666  0.613142  1
  Cu  Cu88  1  0.114136  0.364404  0.612886  1
  Cu  Cu89  1  0.737967  0.738382  0.659963  1
  Cu  Cu90  1  0.406035  0.406606  0.597436  1
  Cu  Cu91  1  0.320959  0.823863  0.628842  1
  Cu  Cu92  1  0.823354  0.321463  0.628835  1
  Cu  Cu93  1  0.071699  0.072212  0.629146  1
  Cu  Cu94  1  0.571887  0.572413  0.628759  1
  Cu  Cu95  1  0.656354  0.156362  0.597575  1
  Cu  Cu96  1  0.155792  0.656927  0.597577  1
  Cu  Cu97  1  0.610327  0.862680  0.705673  1
  Cu  Cu98  1  0.112304  0.362059  0.705383  1
  Cu  Cu99  1  0.195900  0.947277  0.676267  1
  Cu  Cu100  1  0.698792  0.444927  0.675036  1
  Cu  Cu101  1  0.862373  0.610551  0.705669  1
  Cu  Cu102  1  0.361808  0.112561  0.705384  1
  Cu  Cu103  1  0.444508  0.699222  0.675052  1
  Cu  Cu104  1  0.946832  0.196348  0.676266  1
  Cu  Cu105  1  0.570856  0.571035  0.719105  1
  Cu  Cu106  1  0.238031  0.238432  0.659444  1
  Cu  Cu107  1  0.157038  0.654256  0.691610  1
  Cu  Cu108  1  0.653881  0.157456  0.691614  1
  Cu  Cu109  1  0.903097  0.903473  0.691331  1
  Cu  Cu110  1  0.403053  0.403436  0.690750  1
  Cu  Cu111  1  0.488899  0.990331  0.659689  1
  Cu  Cu112  1  0.989923  0.489298  0.659686  1
