# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09457356
_cell_length_b   8.09386115
_cell_length_c   47.55286558
_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   3052.5447099
_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  0.670943  0.671579  0.311709  1
  Cu  Cu2  1  0.170943  0.171579  0.311709  1
  Cu  Cu3  1  0.253649  0.754316  0.283788  1
  Cu  Cu4  1  0.753649  0.254316  0.283788  1
  Cu  Cu5  1  0.837747  0.838382  0.343179  1
  Cu  Cu6  1  0.337747  0.338382  0.343179  1
  Cu  Cu7  1  0.422821  0.923462  0.312201  1
  Cu  Cu8  1  0.922821  0.423462  0.312201  1
  Cu  Cu9  1  0.713736  0.963939  0.297556  1
  Cu  Cu10  1  0.213736  0.463939  0.297556  1
  Cu  Cu11  1  0.129486  0.882205  0.327633  1
  Cu  Cu12  1  0.629486  0.382205  0.327633  1
  Cu  Cu13  1  0.963288  0.714397  0.297556  1
  Cu  Cu14  1  0.463288  0.214397  0.297556  1
  Cu  Cu15  1  0.381569  0.630119  0.327631  1
  Cu  Cu16  1  0.881569  0.130119  0.327631  1
  Cu  Cu17  1  0.505266  0.505889  0.374308  1
  Cu  Cu18  1  0.005266  0.005889  0.374308  1
  Cu  Cu19  1  0.089688  0.590322  0.342918  1
  Cu  Cu20  1  0.589688  0.090322  0.342918  1
  Cu  Cu21  1  0.671212  0.671825  0.405548  1
  Cu  Cu22  1  0.171212  0.171825  0.405548  1
  Cu  Cu23  1  0.255636  0.756257  0.374315  1
  Cu  Cu24  1  0.755636  0.256257  0.374315  1
  Cu  Cu25  1  0.547306  0.797820  0.358366  1
  Cu  Cu26  1  0.047306  0.297820  0.358366  1
  Cu  Cu27  1  0.963339  0.713747  0.389967  1
  Cu  Cu28  1  0.463339  0.213747  0.389967  1
  Cu  Cu29  1  0.797194  0.547935  0.358366  1
  Cu  Cu30  1  0.297194  0.047935  0.358366  1
  Cu  Cu31  1  0.213129  0.463956  0.389967  1
  Cu  Cu32  1  0.713129  0.963956  0.389967  1
  Cu  Cu33  1  0.337003  0.337604  0.437052  1
  Cu  Cu34  1  0.837003  0.837604  0.437052  1
  Cu  Cu35  1  0.921179  0.421791  0.405607  1
  Cu  Cu36  1  0.421179  0.921791  0.405607  1
  Cu  Cu37  1  0.502895  0.503486  0.468486  1
  Cu  Cu38  1  0.002895  0.003486  0.468486  1
  Cu  Cu39  1  0.087016  0.587618  0.437059  1
  Cu  Cu40  1  0.587016  0.087618  0.437059  1
  Cu  Cu41  1  0.379143  0.629720  0.421389  1
  Cu  Cu42  1  0.879143  0.129720  0.421389  1
  Cu  Cu43  1  0.794946  0.545586  0.452741  1
  Cu  Cu44  1  0.294946  0.045586  0.452741  1
  Cu  Cu45  1  0.629113  0.379750  0.421389  1
  Cu  Cu46  1  0.129113  0.879750  0.421389  1
  Cu  Cu47  1  0.044989  0.295542  0.452741  1
  Cu  Cu48  1  0.544989  0.795542  0.452741  1
  Cu  Cu49  1  0.168762  0.169343  0.499873  1
  Cu  Cu50  1  0.668762  0.669343  0.499873  1
  Cu  Cu51  1  0.752915  0.253506  0.468483  1
  Cu  Cu52  1  0.252915  0.753506  0.468483  1
  Cu  Cu53  1  0.334617  0.335187  0.531264  1
  Cu  Cu54  1  0.834617  0.835187  0.531264  1
  Cu  Cu55  1  0.918770  0.419350  0.499873  1
  Cu  Cu56  1  0.418770  0.919350  0.499873  1
  Cu  Cu57  1  0.210825  0.461406  0.484159  1
  Cu  Cu58  1  0.710825  0.961406  0.484159  1
  Cu  Cu59  1  0.626712  0.377283  0.515588  1
  Cu  Cu60  1  0.126712  0.877283  0.515588  1
  Cu  Cu61  1  0.460821  0.211410  0.484159  1
  Cu  Cu62  1  0.960821  0.711410  0.484159  1
  Cu  Cu63  1  0.876708  0.127287  0.515588  1
  Cu  Cu64  1  0.376708  0.627287  0.515588  1
  Cu  Cu65  1  1.000517  1.001075  0.562688  1
  Cu  Cu66  1  0.500517  0.501075  0.562688  1
  Cu  Cu67  1  0.584638  0.085207  0.531261  1
  Cu  Cu68  1  0.084638  0.585207  0.531261  1
  Cu  Cu69  1  0.166354  0.166902  0.594139  1
  Cu  Cu70  1  0.666354  0.666902  0.594139  1
  Cu  Cu71  1  0.750530  0.251089  0.562695  1
  Cu  Cu72  1  0.250530  0.751089  0.562695  1
  Cu  Cu73  1  0.042543  0.293151  0.547005  1
  Cu  Cu74  1  0.542543  0.793151  0.547005  1
  Cu  Cu75  1  0.458419  0.208943  0.578357  1
  Cu  Cu76  1  0.958419  0.708943  0.578357  1
  Cu  Cu77  1  0.292587  0.043107  0.547005  1
  Cu  Cu78  1  0.792587  0.543107  0.547005  1
  Cu  Cu79  1  0.708390  0.958973  0.578357  1
  Cu  Cu80  1  0.208390  0.458973  0.578357  1
  Cu  Cu81  1  0.831897  0.832436  0.625432  1
  Cu  Cu82  1  0.331897  0.332436  0.625432  1
  Cu  Cu83  1  0.416320  0.916868  0.594199  1
  Cu  Cu84  1  0.916320  0.416868  0.594199  1
  Cu  Cu85  1  0.997845  0.998371  0.656828  1
  Cu  Cu86  1  0.497845  0.498371  0.656828  1
  Cu  Cu87  1  0.582267  0.082804  0.625438  1
  Cu  Cu88  1  0.082267  0.582804  0.625438  1
  Cu  Cu89  1  0.874404  0.124737  0.609779  1
  Cu  Cu90  1  0.374404  0.624737  0.609779  1
  Cu  Cu91  1  0.290339  0.040758  0.641380  1
  Cu  Cu92  1  0.790339  0.540758  0.641380  1
  Cu  Cu93  1  0.124194  0.874946  0.609779  1
  Cu  Cu94  1  0.624194  0.374946  0.609779  1
  Cu  Cu95  1  0.540227  0.790873  0.641381  1
  Cu  Cu96  1  0.040227  0.290873  0.641381  1
  Cu  Cu97  1  0.664712  0.665231  0.687546  1
  Cu  Cu98  1  0.164712  0.165231  0.687546  1
  Cu  Cu99  1  0.249786  0.750311  0.656567  1
  Cu  Cu100  1  0.749786  0.250311  0.656567  1
  Cu  Cu101  1  0.833884  0.834377  0.715959  1
  Cu  Cu102  1  0.333884  0.334377  0.715959  1
  Cu  Cu103  1  0.416590  0.917114  0.688037  1
  Cu  Cu104  1  0.916590  0.417114  0.688037  1
  Cu  Cu105  1  0.705963  0.958574  0.672115  1
  Cu  Cu106  1  0.205963  0.458574  0.672115  1
  Cu  Cu107  1  0.124244  0.874296  0.702191  1
  Cu  Cu108  1  0.624244  0.374296  0.702191  1
  Cu  Cu109  1  0.958047  0.706488  0.672114  1
  Cu  Cu110  1  0.458047  0.206488  0.672114  1
  Cu  Cu111  1  0.373796  0.624754  0.702191  1
  Cu  Cu112  1  0.873796  0.124754  0.702191  1
