# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09558996
_cell_length_b   8.09088690
_cell_length_c   47.56160376
_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   3052.36693564
_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  0.650870  0.652068  0.319266  1
  Cu  Cu2  1  0.150870  0.152068  0.319266  1
  Cu  Cu3  1  0.232910  0.734330  0.290433  1
  Cu  Cu4  1  0.732910  0.234330  0.290433  1
  Cu  Cu5  1  0.982910  0.984330  0.290433  1
  Cu  Cu6  1  0.482910  0.484330  0.290433  1
  Cu  Cu7  1  0.400870  0.902068  0.319266  1
  Cu  Cu8  1  0.900870  0.402068  0.319266  1
  Cu  Cu9  1  0.692792  0.944083  0.304840  1
  Cu  Cu10  1  0.192792  0.444083  0.304840  1
  Cu  Cu11  1  0.109547  0.860787  0.335593  1
  Cu  Cu12  1  0.609547  0.360787  0.335593  1
  Cu  Cu13  1  0.942792  0.694083  0.304840  1
  Cu  Cu14  1  0.442792  0.194083  0.304840  1
  Cu  Cu15  1  0.359547  0.610787  0.335593  1
  Cu  Cu16  1  0.859547  0.110787  0.335593  1
  Cu  Cu17  1  0.484278  0.485406  0.382211  1
  Cu  Cu18  1  0.984278  0.985406  0.382211  1
  Cu  Cu19  1  0.067651  0.568855  0.350554  1
  Cu  Cu20  1  0.567651  0.068855  0.350554  1
  Cu  Cu21  1  0.817651  0.818855  0.350554  1
  Cu  Cu22  1  0.317651  0.318855  0.350554  1
  Cu  Cu23  1  0.234278  0.735406  0.382211  1
  Cu  Cu24  1  0.734278  0.235406  0.382211  1
  Cu  Cu25  1  0.526315  0.777466  0.366083  1
  Cu  Cu26  1  0.026315  0.277466  0.366083  1
  Cu  Cu27  1  0.942002  0.693096  0.397633  1
  Cu  Cu28  1  0.442002  0.193096  0.397633  1
  Cu  Cu29  1  0.776315  0.527466  0.366083  1
  Cu  Cu30  1  0.276315  0.027466  0.366083  1
  Cu  Cu31  1  0.192002  0.443096  0.397633  1
  Cu  Cu32  1  0.692002  0.943096  0.397633  1
  Cu  Cu33  1  0.315842  0.316830  0.444777  1
  Cu  Cu34  1  0.815842  0.816830  0.444777  1
  Cu  Cu35  1  0.900079  0.401136  0.413357  1
  Cu  Cu36  1  0.400079  0.901136  0.413357  1
  Cu  Cu37  1  0.650079  0.651136  0.413357  1
  Cu  Cu38  1  0.150079  0.151136  0.413357  1
  Cu  Cu39  1  0.065842  0.566830  0.444777  1
  Cu  Cu40  1  0.565842  0.066830  0.444777  1
  Cu  Cu41  1  0.357946  0.608968  0.429194  1
  Cu  Cu42  1  0.857946  0.108968  0.429194  1
  Cu  Cu43  1  0.773843  0.524794  0.460524  1
  Cu  Cu44  1  0.273843  0.024794  0.460524  1
  Cu  Cu45  1  0.607946  0.358968  0.429194  1
  Cu  Cu46  1  0.107946  0.858968  0.429194  1
  Cu  Cu47  1  0.023843  0.274794  0.460524  1
  Cu  Cu48  1  0.523843  0.774794  0.460524  1
  Cu  Cu49  1  0.147655  0.148502  0.507655  1
  Cu  Cu50  1  0.647655  0.648502  0.507655  1
  Cu  Cu51  1  0.731754  0.232671  0.476246  1
  Cu  Cu52  1  0.231754  0.732671  0.476246  1
  Cu  Cu53  1  0.481754  0.482671  0.476246  1
  Cu  Cu54  1  0.981754  0.982671  0.476246  1
  Cu  Cu55  1  0.897655  0.398502  0.507655  1
  Cu  Cu56  1  0.397655  0.898502  0.507655  1
  Cu  Cu57  1  0.189678  0.440561  0.491908  1
  Cu  Cu58  1  0.689678  0.940561  0.491908  1
  Cu  Cu59  1  0.605579  0.356392  0.523317  1
  Cu  Cu60  1  0.105579  0.856392  0.523317  1
  Cu  Cu61  1  0.439678  0.190561  0.491908  1
  Cu  Cu62  1  0.939678  0.690561  0.491908  1
  Cu  Cu63  1  0.855579  0.106392  0.523317  1
  Cu  Cu64  1  0.355579  0.606392  0.523317  1
  Cu  Cu65  1  0.979387  0.980095  0.570369  1
  Cu  Cu66  1  0.479387  0.480095  0.570369  1
  Cu  Cu67  1  0.563491  0.064269  0.539039  1
  Cu  Cu68  1  0.063491  0.564269  0.539039  1
  Cu  Cu69  1  0.313491  0.314269  0.539039  1
  Cu  Cu70  1  0.813491  0.814269  0.539039  1
  Cu  Cu71  1  0.729387  0.230095  0.570369  1
  Cu  Cu72  1  0.229387  0.730095  0.570369  1
  Cu  Cu73  1  0.021491  0.272232  0.554786  1
  Cu  Cu74  1  0.521491  0.772232  0.554786  1
  Cu  Cu75  1  0.437254  0.187926  0.586206  1
  Cu  Cu76  1  0.937254  0.687926  0.586206  1
  Cu  Cu77  1  0.271491  0.022232  0.554786  1
  Cu  Cu78  1  0.771491  0.522232  0.554786  1
  Cu  Cu79  1  0.687254  0.937926  0.586206  1
  Cu  Cu80  1  0.187254  0.437926  0.586206  1
  Cu  Cu81  1  0.811018  0.811597  0.633480  1
  Cu  Cu82  1  0.311018  0.311597  0.633480  1
  Cu  Cu83  1  0.395331  0.895966  0.601930  1
  Cu  Cu84  1  0.895331  0.395966  0.601930  1
  Cu  Cu85  1  0.145331  0.145966  0.601930  1
  Cu  Cu86  1  0.645331  0.645966  0.601930  1
  Cu  Cu87  1  0.561018  0.061597  0.633480  1
  Cu  Cu88  1  0.061018  0.561597  0.633480  1
  Cu  Cu89  1  0.853055  0.103657  0.617352  1
  Cu  Cu90  1  0.353055  0.603657  0.617352  1
  Cu  Cu91  1  0.269682  0.020208  0.649009  1
  Cu  Cu92  1  0.769682  0.520208  0.649009  1
  Cu  Cu93  1  0.103055  0.853657  0.617352  1
  Cu  Cu94  1  0.603055  0.353657  0.617352  1
  Cu  Cu95  1  0.519682  0.770208  0.649009  1
  Cu  Cu96  1  0.019682  0.270208  0.649009  1
  Cu  Cu97  1  0.644541  0.644979  0.694723  1
  Cu  Cu98  1  0.144541  0.144979  0.694723  1
  Cu  Cu99  1  0.227786  0.728275  0.663970  1
  Cu  Cu100  1  0.727786  0.228275  0.663970  1
  Cu  Cu101  1  0.977786  0.978275  0.663970  1
  Cu  Cu102  1  0.477786  0.478275  0.663970  1
  Cu  Cu103  1  0.394541  0.894979  0.694723  1
  Cu  Cu104  1  0.894541  0.394979  0.694723  1
  Cu  Cu105  1  0.686463  0.936994  0.680297  1
  Cu  Cu106  1  0.186463  0.436994  0.680297  1
  Cu  Cu107  1  0.104423  0.854733  0.709129  1
  Cu  Cu108  1  0.604423  0.354733  0.709129  1
  Cu  Cu109  1  0.936463  0.686994  0.680297  1
  Cu  Cu110  1  0.436463  0.186994  0.680297  1
  Cu  Cu111  1  0.354423  0.604733  0.709129  1
  Cu  Cu112  1  0.854423  0.104733  0.709129  1
