# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42135017
_cell_length_b   12.85829544
_cell_length_c   46.06156968
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.93704479
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu96
_cell_volume   2579.36246884
_cell_formula_units_Z   96
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  0.407299  0.144853  0.285382  1
  Cu  Cu2  1  0.574972  0.475602  0.294379  1
  Cu  Cu3  1  0.736896  0.806177  0.303013  1
  Cu  Cu4  1  0.651759  0.980869  0.281879  1
  Cu  Cu5  1  0.820957  0.310244  0.289880  1
  Cu  Cu6  1  0.986850  0.640988  0.298915  1
  Cu  Cu7  1  0.902341  0.136092  0.311702  1
  Cu  Cu8  1  0.067720  0.466085  0.320641  1
  Cu  Cu9  1  0.233008  0.796820  0.329441  1
  Cu  Cu10  1  0.151069  0.970653  0.307440  1
  Cu  Cu11  1  0.319165  0.300992  0.316166  1
  Cu  Cu12  1  0.484634  0.631157  0.325225  1
  Cu  Cu13  1  0.398063  0.125723  0.339151  1
  Cu  Cu14  1  0.563038  0.456069  0.348282  1
  Cu  Cu15  1  0.727541  0.785461  0.357447  1
  Cu  Cu16  1  0.649077  0.961126  0.335047  1
  Cu  Cu17  1  0.814298  0.291067  0.343811  1
  Cu  Cu18  1  0.980522  0.621010  0.352867  1
  Cu  Cu19  1  0.892861  0.115886  0.367063  1
  Cu  Cu20  1  0.057251  0.445806  0.376132  1
  Cu  Cu21  1  0.222237  0.775531  0.385305  1
  Cu  Cu22  1  0.144616  0.950403  0.362433  1
  Cu  Cu23  1  0.310668  0.280775  0.371602  1
  Cu  Cu24  1  0.476283  0.610598  0.380765  1
  Cu  Cu25  1  0.387188  0.105455  0.394835  1
  Cu  Cu26  1  0.551855  0.435495  0.404021  1
  Cu  Cu27  1  0.716984  0.765323  0.413271  1
  Cu  Cu28  1  0.641029  0.940362  0.390293  1
  Cu  Cu29  1  0.806355  0.270576  0.399489  1
  Cu  Cu30  1  0.971733  0.600468  0.408635  1
  Cu  Cu31  1  0.881989  0.095276  0.422741  1
  Cu  Cu32  1  0.046846  0.425287  0.431925  1
  Cu  Cu33  1  0.211922  0.755120  0.441189  1
  Cu  Cu34  1  0.136581  0.930220  0.418100  1
  Cu  Cu35  1  0.301548  0.260247  0.427350  1
  Cu  Cu36  1  0.466825  0.590193  0.436560  1
  Cu  Cu37  1  0.376925  0.085032  0.450602  1
  Cu  Cu38  1  0.541813  0.415004  0.459819  1
  Cu  Cu39  1  0.706867  0.744904  0.469101  1
  Cu  Cu40  1  0.631734  0.920028  0.445970  1
  Cu  Cu41  1  0.796667  0.250039  0.455244  1
  Cu  Cu42  1  0.961793  0.579971  0.464455  1
  Cu  Cu43  1  0.871860  0.074808  0.478490  1
  Cu  Cu44  1  0.036825  0.404774  0.487714  1
  Cu  Cu45  1  0.201820  0.734691  0.496997  1
  Cu  Cu46  1  0.126738  0.909828  0.473844  1
  Cu  Cu47  1  0.291686  0.239782  0.483125  1
  Cu  Cu48  1  0.456730  0.569730  0.492352  1
  Cu  Cu49  1  0.366789  0.064580  0.506378  1
  Cu  Cu50  1  0.531834  0.394528  0.515604  1
  Cu  Cu51  1  0.696781  0.724482  0.524886  1
  Cu  Cu52  1  0.621699  0.899619  0.501732  1
  Cu  Cu53  1  0.786694  0.229537  0.511016  1
  Cu  Cu54  1  0.951660  0.559502  0.520239  1
  Cu  Cu55  1  0.861726  0.054340  0.534275  1
  Cu  Cu56  1  0.026853  0.384272  0.543486  1
  Cu  Cu57  1  0.191785  0.714282  0.552760  1
  Cu  Cu58  1  0.116652  0.889407  0.529629  1
  Cu  Cu59  1  0.281707  0.219306  0.538911  1
  Cu  Cu60  1  0.446594  0.549278  0.548128  1
  Cu  Cu61  1  0.356694  0.044118  0.562170  1
  Cu  Cu62  1  0.521971  0.374063  0.571379  1
  Cu  Cu63  1  0.686938  0.704090  0.580630  1
  Cu  Cu64  1  0.611597  0.879191  0.557540  1
  Cu  Cu65  1  0.776674  0.209023  0.566805  1
  Cu  Cu66  1  0.941531  0.539034  0.575988  1
  Cu  Cu67  1  0.851786  0.033842  0.590095  1
  Cu  Cu68  1  0.017165  0.363734  0.599240  1
  Cu  Cu69  1  0.182490  0.693948  0.608436  1
  Cu  Cu70  1  0.106536  0.868988  0.585459  1
  Cu  Cu71  1  0.271665  0.198815  0.594709  1
  Cu  Cu72  1  0.436331  0.528856  0.603894  1
  Cu  Cu73  1  0.347237  0.023712  0.617965  1
  Cu  Cu74  1  0.512851  0.353535  0.627128  1
  Cu  Cu75  1  0.678903  0.683908  0.636297  1
  Cu  Cu76  1  0.601283  0.858780  0.613425  1
  Cu  Cu77  1  0.766268  0.188504  0.622598  1
  Cu  Cu78  1  0.930658  0.518424  0.631667  1
  Cu  Cu79  1  0.842998  0.013300  0.645863  1
  Cu  Cu80  1  0.009222  0.343243  0.654919  1
  Cu  Cu81  1  0.174442  0.673185  0.663683  1
  Cu  Cu82  1  0.095978  0.848849  0.641283  1
  Cu  Cu83  1  0.260481  0.178241  0.650447  1
  Cu  Cu84  1  0.425457  0.508587  0.659578  1
  Cu  Cu85  1  0.338885  0.003154  0.673505  1
  Cu  Cu86  1  0.504354  0.333318  0.682564  1
  Cu  Cu87  1  0.672450  0.663658  0.691290  1
  Cu  Cu88  1  0.590511  0.837490  0.669288  1
  Cu  Cu89  1  0.755799  0.168225  0.678088  1
  Cu  Cu90  1  0.921178  0.498218  0.687028  1
  Cu  Cu91  1  0.836669  0.993323  0.699815  1
  Cu  Cu92  1  1.002562  0.324066  0.708849  1
  Cu  Cu93  1  0.171760  0.653442  0.716851  1
  Cu  Cu94  1  0.086624  0.828134  0.695716  1
  Cu  Cu95  1  0.248547  0.158709  0.704350  1
  Cu  Cu96  1  0.416220  0.489458  0.713348  1
