# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39542572
_cell_length_b   8.70017934
_cell_length_c   45.71435699
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.69185358
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu64
_cell_volume   1691.00413747
_cell_formula_units_Z   64
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  0.068282  0.257451  0.292862  1
  Cu  Cu2  1  0.842618  0.501317  0.298962  1
  Cu  Cu3  1  0.821832  0.773155  0.280063  1
  Cu  Cu4  1  0.288707  0.013384  0.286212  1
  Cu  Cu5  1  0.556876  0.235280  0.320188  1
  Cu  Cu6  1  0.335930  0.479878  0.326656  1
  Cu  Cu7  1  0.309652  0.744132  0.306130  1
  Cu  Cu8  1  0.776273  0.991565  0.313573  1
  Cu  Cu9  1  0.046731  0.212484  0.348032  1
  Cu  Cu10  1  0.827796  0.456484  0.354642  1
  Cu  Cu11  1  0.801346  0.723290  0.334400  1
  Cu  Cu12  1  0.263075  0.967103  0.341088  1
  Cu  Cu13  1  0.535076  0.189172  0.375759  1
  Cu  Cu14  1  0.318424  0.433779  0.382519  1
  Cu  Cu15  1  0.290371  0.700461  0.361907  1
  Cu  Cu16  1  0.751314  0.945045  0.368986  1
  Cu  Cu17  1  0.024130  0.166514  0.403613  1
  Cu  Cu18  1  0.807797  0.410655  0.410402  1
  Cu  Cu19  1  0.779293  0.677623  0.389801  1
  Cu  Cu20  1  0.239514  0.921975  0.396709  1
  Cu  Cu21  1  0.512734  0.143518  0.431392  1
  Cu  Cu22  1  0.297007  0.387890  0.438252  1
  Cu  Cu23  1  0.268153  0.654828  0.417528  1
  Cu  Cu24  1  0.728116  0.899185  0.424531  1
  Cu  Cu25  1  1.001481  0.120678  0.459205  1
  Cu  Cu26  1  0.785853  0.364944  0.466086  1
  Cu  Cu27  1  0.756974  0.631957  0.445345  1
  Cu  Cu28  1  0.216762  0.876285  0.452308  1
  Cu  Cu29  1  0.490120  0.097773  0.487000  1
  Cu  Cu30  1  0.274622  0.342107  0.493907  1
  Cu  Cu31  1  0.245730  0.609147  0.473135  1
  Cu  Cu32  1  0.705492  0.853415  0.480114  1
  Cu  Cu33  1  0.978777  0.074899  0.514798  1
  Cu  Cu34  1  0.763274  0.319211  0.521724  1
  Cu  Cu35  1  0.734450  0.586261  0.500946  1
  Cu  Cu36  1  0.194253  0.830548  0.507916  1
  Cu  Cu37  1  0.467435  0.052036  0.542601  1
  Cu  Cu38  1  0.251853  0.296387  0.549519  1
  Cu  Cu39  1  0.223153  0.563433  0.528757  1
  Cu  Cu40  1  0.683063  0.807630  0.535720  1
  Cu  Cu41  1  0.956046  0.029108  0.570376  1
  Cu  Cu42  1  0.740351  0.273511  0.577345  1
  Cu  Cu43  1  0.711863  0.540499  0.556581  1
  Cu  Cu44  1  0.172052  0.784792  0.563546  1
  Cu  Cu45  1  0.444848  0.006327  0.598199  1
  Cu  Cu46  1  0.228588  0.250683  0.605069  1
  Cu  Cu47  1  0.200591  0.517739  0.584410  1
  Cu  Cu48  1  0.661173  0.761749  0.591344  1
  Cu  Cu49  1  0.933309  0.983148  0.625927  1
  Cu  Cu50  1  0.716581  0.227875  0.632976  1
  Cu  Cu51  1  0.689349  0.494668  0.612284  1
  Cu  Cu52  1  0.151004  0.739115  0.619220  1
  Cu  Cu53  1  0.423008  0.961208  0.653834  1
  Cu  Cu54  1  0.203582  0.204838  0.660442  1
  Cu  Cu55  1  0.177936  0.471847  0.640114  1
  Cu  Cu56  1  0.640863  0.715711  0.646989  1
  Cu  Cu57  1  0.910516  0.936910  0.681424  1
  Cu  Cu58  1  0.693574  0.183783  0.688718  1
  Cu  Cu59  1  0.666216  0.448480  0.668117  1
  Cu  Cu60  1  0.133158  0.692918  0.674814  1
  Cu  Cu61  1  0.401201  0.913826  0.708729  1
  Cu  Cu62  1  0.183629  0.156307  0.714727  1
  Cu  Cu63  1  0.158229  0.427112  0.695753  1
  Cu  Cu64  1  0.623788  0.670584  0.702184  1
