# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09275440
_cell_length_b   8.08966211
_cell_length_c   47.56398692
_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   3050.98878177
_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  0.660861  0.661871  0.315223  1
  Cu  Cu2  1  0.160655  0.161670  0.315282  1
  Cu  Cu3  1  0.246946  0.741179  0.287288  1
  Cu  Cu4  1  0.740013  0.248115  0.287287  1
  Cu  Cu5  1  0.827632  0.828648  0.346895  1
  Cu  Cu6  1  0.492662  0.493830  0.287021  1
  Cu  Cu7  1  0.413443  0.911792  0.315591  1
  Cu  Cu8  1  0.910774  0.414478  0.315593  1
  Cu  Cu9  1  0.704186  0.954763  0.301224  1
  Cu  Cu10  1  0.202671  0.453541  0.301216  1
  Cu  Cu11  1  0.118755  0.872840  0.331128  1
  Cu  Cu12  1  0.620295  0.370959  0.332028  1
  Cu  Cu13  1  0.953682  0.705306  0.301225  1
  Cu  Cu14  1  0.452456  0.203760  0.301216  1
  Cu  Cu15  1  0.369924  0.621327  0.332028  1
  Cu  Cu16  1  0.871812  0.119772  0.331120  1
  Cu  Cu17  1  0.495066  0.496024  0.378395  1
  Cu  Cu18  1  0.995105  0.996072  0.378005  1
  Cu  Cu19  1  0.078600  0.580527  0.346630  1
  Cu  Cu20  1  0.579516  0.079616  0.346630  1
  Cu  Cu21  1  0.660999  0.661912  0.409455  1
  Cu  Cu22  1  0.328084  0.329098  0.346608  1
  Cu  Cu23  1  0.244596  0.747041  0.378183  1
  Cu  Cu24  1  0.746085  0.245552  0.378181  1
  Cu  Cu25  1  0.537393  0.788211  0.362214  1
  Cu  Cu26  1  0.037014  0.287955  0.361909  1
  Cu  Cu27  1  0.952856  0.703938  0.393776  1
  Cu  Cu28  1  0.453054  0.203610  0.393620  1
  Cu  Cu29  1  0.787231  0.538375  0.362215  1
  Cu  Cu30  1  0.286983  0.037997  0.361911  1
  Cu  Cu31  1  0.202670  0.453989  0.393619  1
  Cu  Cu32  1  0.702995  0.953795  0.393776  1
  Cu  Cu33  1  0.326580  0.327447  0.440736  1
  Cu  Cu34  1  0.826624  0.827491  0.440907  1
  Cu  Cu35  1  0.911065  0.411598  0.409370  1
  Cu  Cu36  1  0.410685  0.911979  0.409371  1
  Cu  Cu37  1  0.492454  0.493273  0.472265  1
  Cu  Cu38  1  0.160784  0.161699  0.409225  1
  Cu  Cu39  1  0.076591  0.577481  0.440829  1
  Cu  Cu40  1  0.576615  0.077458  0.440830  1
  Cu  Cu41  1  0.368556  0.619839  0.425238  1
  Cu  Cu42  1  0.868941  0.119440  0.425205  1
  Cu  Cu43  1  0.784672  0.535341  0.456574  1
  Cu  Cu44  1  0.284440  0.035510  0.456511  1
  Cu  Cu45  1  0.618952  0.369445  0.425238  1
  Cu  Cu46  1  0.118549  0.869833  0.425205  1
  Cu  Cu47  1  0.034666  0.285284  0.456511  1
  Cu  Cu48  1  0.534498  0.785515  0.456574  1
  Cu  Cu49  1  0.158304  0.159077  0.503682  1
  Cu  Cu50  1  0.658310  0.659083  0.503697  1
  Cu  Cu51  1  0.742589  0.243186  0.472290  1
  Cu  Cu52  1  0.242367  0.743408  0.472290  1
  Cu  Cu53  1  0.324084  0.324809  0.535035  1
  Cu  Cu54  1  0.992478  0.993298  0.472317  1
  Cu  Cu55  1  0.908431  0.408971  0.503688  1
  Cu  Cu56  1  0.408198  0.909203  0.503688  1
  Cu  Cu57  1  0.200384  0.451114  0.487910  1
  Cu  Cu58  1  0.700352  0.951202  0.487989  1
  Cu  Cu59  1  0.616267  0.366904  0.519338  1
  Cu  Cu60  1  0.116183  0.867035  0.519413  1
  Cu  Cu61  1  0.450318  0.201180  0.487910  1
  Cu  Cu62  1  0.950406  0.701148  0.487989  1
  Cu  Cu63  1  0.866286  0.116932  0.519413  1
  Cu  Cu64  1  0.366154  0.617016  0.519338  1
  Cu  Cu65  1  0.989989  0.990669  0.566542  1
  Cu  Cu66  1  0.489946  0.490624  0.566348  1
  Cu  Cu67  1  0.574032  0.074926  0.535073  1
  Cu  Cu68  1  0.074200  0.574758  0.535073  1
  Cu  Cu69  1  0.155918  0.156549  0.598093  1
  Cu  Cu70  1  0.824121  0.824848  0.535114  1
  Cu  Cu71  1  0.740015  0.240604  0.566452  1
  Cu  Cu72  1  0.239925  0.740695  0.566452  1
  Cu  Cu73  1  0.032172  0.282683  0.550855  1
  Cu  Cu74  1  0.531930  0.782881  0.550814  1
  Cu  Cu75  1  0.447610  0.198638  0.582213  1
  Cu  Cu76  1  0.948002  0.698274  0.582217  1
  Cu  Cu77  1  0.281982  0.032873  0.550856  1
  Cu  Cu78  1  0.782178  0.532633  0.550814  1
  Cu  Cu79  1  0.697617  0.948661  0.582217  1
  Cu  Cu80  1  0.197985  0.448264  0.582212  1
  Cu  Cu81  1  0.821256  0.821856  0.629269  1
  Cu  Cu82  1  0.321273  0.321861  0.629584  1
  Cu  Cu83  1  0.405520  0.906653  0.598029  1
  Cu  Cu84  1  0.906023  0.406148  0.598028  1
  Cu  Cu85  1  0.987187  0.987718  0.660566  1
  Cu  Cu86  1  0.655681  0.656312  0.597893  1
  Cu  Cu87  1  0.570657  0.072961  0.629414  1
  Cu  Cu88  1  0.072373  0.571244  0.629411  1
  Cu  Cu89  1  0.863646  0.114228  0.613588  1
  Cu  Cu90  1  0.363643  0.614002  0.613370  1
  Cu  Cu91  1  0.279981  0.030727  0.645354  1
  Cu  Cu92  1  0.779761  0.529997  0.645037  1
  Cu  Cu93  1  0.113616  0.864253  0.613588  1
  Cu  Cu94  1  0.613394  0.364246  0.613370  1
  Cu  Cu95  1  0.529447  0.780323  0.645039  1
  Cu  Cu96  1  0.030166  0.280543  0.645354  1
  Cu  Cu97  1  0.654902  0.655399  0.691068  1
  Cu  Cu98  1  0.154213  0.154704  0.691030  1
  Cu  Cu99  1  0.239319  0.739118  0.660132  1
  Cu  Cu100  1  0.738588  0.239847  0.660133  1
  Cu  Cu101  1  0.824373  0.824750  0.719202  1
  Cu  Cu102  1  0.488156  0.488686  0.660003  1
  Cu  Cu103  1  0.407020  0.905221  0.691367  1
  Cu  Cu104  1  0.904727  0.407544  0.691370  1
  Cu  Cu105  1  0.694477  0.949722  0.675809  1
  Cu  Cu106  1  0.197821  0.446505  0.676585  1
  Cu  Cu107  1  0.114746  0.864069  0.705561  1
  Cu  Cu108  1  0.614302  0.364907  0.705178  1
  Cu  Cu109  1  0.949171  0.695014  0.675799  1
  Cu  Cu110  1  0.445952  0.198371  0.676586  1
  Cu  Cu111  1  0.364495  0.614714  0.705178  1
  Cu  Cu112  1  0.863674  0.115194  0.705562  1
