# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54264487
_cell_length_b   16.85415151
_cell_length_c   48.43704948
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.65920928
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2069.77299713
_cell_formula_units_Z   80
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  0.901735  0.139969  0.285955  1
  Cu  Cu2  1  0.654532  0.633661  0.307364  1
  Cu  Cu3  1  0.342605  0.257946  0.306005  1
  Cu  Cu4  1  0.587686  0.767397  0.284003  1
  Cu  Cu5  1  0.023159  0.896014  0.275055  1
  Cu  Cu6  1  0.777887  0.387125  0.296505  1
  Cu  Cu7  1  0.967618  0.007510  0.308972  1
  Cu  Cu8  1  0.213449  0.515878  0.287272  1
  Cu  Cu9  1  0.409358  0.124364  0.330945  1
  Cu  Cu10  1  0.163429  0.615906  0.353031  1
  Cu  Cu11  1  0.850716  0.241621  0.351552  1
  Cu  Cu12  1  0.096319  0.750108  0.329286  1
  Cu  Cu13  1  0.532103  0.878388  0.319824  1
  Cu  Cu14  1  0.286398  0.370098  0.341747  1
  Cu  Cu15  1  0.476205  0.990359  0.354814  1
  Cu  Cu16  1  0.721945  0.498899  0.332171  1
  Cu  Cu17  1  0.917853  0.107227  0.376254  1
  Cu  Cu18  1  0.672111  0.598567  0.398683  1
  Cu  Cu19  1  0.359301  0.224366  0.397118  1
  Cu  Cu20  1  0.605048  0.732689  0.374623  1
  Cu  Cu21  1  0.040584  0.861551  0.365111  1
  Cu  Cu22  1  0.794933  0.353003  0.387313  1
  Cu  Cu23  1  0.984837  0.973105  0.400483  1
  Cu  Cu24  1  0.230577  0.481632  0.377602  1
  Cu  Cu25  1  0.426399  0.090072  0.421669  1
  Cu  Cu26  1  0.180740  0.581321  0.444257  1
  Cu  Cu27  1  0.867901  0.207115  0.442655  1
  Cu  Cu28  1  0.113674  0.715471  0.420049  1
  Cu  Cu29  1  0.549265  0.844245  0.410445  1
  Cu  Cu30  1  0.303541  0.335761  0.432861  1
  Cu  Cu31  1  0.493490  0.955803  0.446005  1
  Cu  Cu32  1  0.739190  0.464397  0.423115  1
  Cu  Cu33  1  0.935009  0.072825  0.467118  1
  Cu  Cu34  1  0.689361  0.564080  0.489789  1
  Cu  Cu35  1  0.376525  0.189836  0.488172  1
  Cu  Cu36  1  0.622292  0.698257  0.465517  1
  Cu  Cu37  1  0.057906  0.826989  0.455842  1
  Cu  Cu38  1  0.812163  0.318499  0.478401  1
  Cu  Cu39  1  1.002130  0.938526  0.491473  1
  Cu  Cu40  1  0.247812  0.447141  0.468643  1
  Cu  Cu41  1  0.443635  0.055561  0.512586  1
  Cu  Cu42  1  0.197976  0.546843  0.535294  1
  Cu  Cu43  1  0.885158  0.172552  0.533679  1
  Cu  Cu44  1  0.130916  0.681019  0.511016  1
  Cu  Cu45  1  0.566544  0.809726  0.501282  1
  Cu  Cu46  1  0.320793  0.301223  0.523932  1
  Cu  Cu47  1  0.510769  0.921254  0.536908  1
  Cu  Cu48  1  0.756436  0.429877  0.514174  1
  Cu  Cu49  1  0.952276  0.038280  0.558070  1
  Cu  Cu50  1  0.706575  0.529619  0.580768  1
  Cu  Cu51  1  0.393805  0.155247  0.579177  1
  Cu  Cu52  1  0.639547  0.663764  0.556550  1
  Cu  Cu53  1  0.075194  0.792434  0.546758  1
  Cu  Cu54  1  0.829428  0.283936  0.569459  1
  Cu  Cu55  1  0.019416  0.903979  0.582300  1
  Cu  Cu56  1  0.265059  0.412603  0.559702  1
  Cu  Cu57  1  0.460934  0.020975  0.603585  1
  Cu  Cu58  1  0.215132  0.512447  0.626183  1
  Cu  Cu59  1  0.902469  0.137910  0.624663  1
  Cu  Cu60  1  0.148183  0.646501  0.602141  1
  Cu  Cu61  1  0.583872  0.775088  0.592283  1
  Cu  Cu62  1  0.338087  0.266595  0.614981  1
  Cu  Cu63  1  0.528076  0.886692  0.627608  1
  Cu  Cu64  1  0.773680  0.395313  0.605233  1
  Cu  Cu65  1  0.969628  0.003612  0.649177  1
  Cu  Cu66  1  0.723775  0.495023  0.671416  1
  Cu  Cu67  1  0.411195  0.120456  0.670099  1
  Cu  Cu68  1  0.656794  0.629299  0.647839  1
  Cu  Cu69  1  0.092613  0.757628  0.637913  1
  Cu  Cu70  1  0.846762  0.249225  0.660524  1
  Cu  Cu71  1  0.036747  0.869402  0.672731  1
  Cu  Cu72  1  0.282385  0.377828  0.650760  1
  Cu  Cu73  1  0.478623  0.985659  0.694837  1
  Cu  Cu74  1  0.231873  0.478486  0.716255  1
  Cu  Cu75  1  0.919808  0.103248  0.715016  1
  Cu  Cu76  1  0.165643  0.611647  0.693395  1
  Cu  Cu77  1  0.601168  0.740568  0.683704  1
  Cu  Cu78  1  0.355409  0.231932  0.705798  1
  Cu  Cu79  1  0.545264  0.852438  0.717456  1
  Cu  Cu80  1  0.790783  0.360938  0.696240  1
