# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38655165
_cell_length_b   12.67400143
_cell_length_c   46.00771317
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.00132993
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu96
_cell_volume   2518.93712746
_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  0.333890  0.984235  0.279586  1
  Cu  Cu2  1  0.489605  0.310992  0.287605  1
  Cu  Cu3  1  0.654149  0.640596  0.296441  1
  Cu  Cu4  1  0.753112  0.147331  0.283210  1
  Cu  Cu5  1  0.914309  0.475844  0.292051  1
  Cu  Cu6  1  0.082967  0.805247  0.300352  1
  Cu  Cu7  1  0.823177  0.969542  0.305126  1
  Cu  Cu8  1  0.985549  0.301405  0.314571  1
  Cu  Cu9  1  0.149773  0.630772  0.323395  1
  Cu  Cu10  1  0.244023  0.136558  0.310157  1
  Cu  Cu11  1  0.409097  0.465975  0.318946  1
  Cu  Cu12  1  0.574984  0.796153  0.327563  1
  Cu  Cu13  1  0.316882  0.960476  0.333258  1
  Cu  Cu14  1  0.482366  0.290750  0.342196  1
  Cu  Cu15  1  0.645792  0.620747  0.351109  1
  Cu  Cu16  1  0.736947  0.124969  0.337477  1
  Cu  Cu17  1  0.902007  0.455849  0.346675  1
  Cu  Cu18  1  0.067527  0.785227  0.355532  1
  Cu  Cu19  1  0.811851  0.950046  0.360492  1
  Cu  Cu20  1  0.976467  0.280211  0.369810  1
  Cu  Cu21  1  0.140767  0.610332  0.378878  1
  Cu  Cu22  1  0.231669  0.115353  0.365294  1
  Cu  Cu23  1  0.396570  0.445407  0.374342  1
  Cu  Cu24  1  0.561917  0.775168  0.383363  1
  Cu  Cu25  1  0.305993  0.939790  0.388457  1
  Cu  Cu26  1  0.471087  0.270001  0.397715  1
  Cu  Cu27  1  0.635418  0.599942  0.406779  1
  Cu  Cu28  1  0.726385  0.104823  0.393055  1
  Cu  Cu29  1  0.891478  0.434963  0.402238  1
  Cu  Cu30  1  0.056428  0.764707  0.411372  1
  Cu  Cu31  1  0.800578  0.929542  0.416200  1
  Cu  Cu32  1  0.965645  0.259578  0.425510  1
  Cu  Cu33  1  0.130213  0.589563  0.434653  1
  Cu  Cu34  1  0.221223  0.094578  0.420918  1
  Cu  Cu35  1  0.386230  0.424640  0.430077  1
  Cu  Cu36  1  0.551162  0.754452  0.439252  1
  Cu  Cu37  1  0.295241  0.919264  0.444085  1
  Cu  Cu38  1  0.460346  0.249260  0.453367  1
  Cu  Cu39  1  0.625041  0.579237  0.462519  1
  Cu  Cu40  1  0.716018  0.084232  0.448737  1
  Cu  Cu41  1  0.880977  0.414257  0.457932  1
  Cu  Cu42  1  0.045921  0.744112  0.467162  1
  Cu  Cu43  1  0.790013  0.908975  0.471919  1
  Cu  Cu44  1  0.955054  0.238906  0.481200  1
  Cu  Cu45  1  0.119862  0.568891  0.490384  1
  Cu  Cu46  1  0.210832  0.073918  0.476595  1
  Cu  Cu47  1  0.375722  0.403919  0.485777  1
  Cu  Cu48  1  0.540719  0.733816  0.495027  1
  Cu  Cu49  1  0.284797  0.898664  0.499799  1
  Cu  Cu50  1  0.449794  0.228560  0.509050  1
  Cu  Cu51  1  0.614685  0.558561  0.518231  1
  Cu  Cu52  1  0.705654  0.063589  0.504443  1
  Cu  Cu53  1  0.870462  0.393574  0.513627  1
  Cu  Cu54  1  0.035504  0.723505  0.522907  1
  Cu  Cu55  1  0.779595  0.888368  0.527665  1
  Cu  Cu56  1  0.944539  0.218223  0.536895  1
  Cu  Cu57  1  0.109498  0.548248  0.546090  1
  Cu  Cu58  1  0.200475  0.053243  0.532308  1
  Cu  Cu59  1  0.365171  0.383220  0.541460  1
  Cu  Cu60  1  0.530275  0.713216  0.550742  1
  Cu  Cu61  1  0.274354  0.878028  0.555574  1
  Cu  Cu62  1  0.439286  0.207840  0.564749  1
  Cu  Cu63  1  0.604294  0.537902  0.573909  1
  Cu  Cu64  1  0.695303  0.042916  0.560174  1
  Cu  Cu65  1  0.859872  0.372902  0.569316  1
  Cu  Cu66  1  0.024938  0.702938  0.578627  1
  Cu  Cu67  1  0.769088  0.867773  0.583455  1
  Cu  Cu68  1  0.934038  0.197517  0.592589  1
  Cu  Cu69  1  0.099131  0.527657  0.601771  1
  Cu  Cu70  1  0.190099  0.032537  0.588048  1
  Cu  Cu71  1  0.354429  0.362479  0.597111  1
  Cu  Cu72  1  0.519524  0.692689  0.606370  1
  Cu  Cu73  1  0.263599  0.857312  0.611464  1
  Cu  Cu74  1  0.428946  0.187073  0.620485  1
  Cu  Cu75  1  0.593847  0.517126  0.629533  1
  Cu  Cu76  1  0.684750  0.022147  0.615948  1
  Cu  Cu77  1  0.849049  0.352269  0.625016  1
  Cu  Cu78  1  0.013666  0.682434  0.634335  1
  Cu  Cu79  1  0.757989  0.847253  0.639294  1
  Cu  Cu80  1  0.923509  0.176631  0.648152  1
  Cu  Cu81  1  0.088569  0.507510  0.657350  1
  Cu  Cu82  1  0.179724  0.011733  0.643717  1
  Cu  Cu83  1  0.343150  0.341730  0.652630  1
  Cu  Cu84  1  0.508635  0.672003  0.661568  1
  Cu  Cu85  1  0.250532  0.836327  0.667264  1
  Cu  Cu86  1  0.416419  0.166504  0.675881  1
  Cu  Cu87  1  0.581493  0.495922  0.684669  1
  Cu  Cu88  1  0.675744  1.001708  0.671431  1
  Cu  Cu89  1  0.839967  0.331075  0.680256  1
  Cu  Cu90  1  1.002340  0.662937  0.689701  1
  Cu  Cu91  1  0.742550  0.827233  0.694475  1
  Cu  Cu92  1  0.911207  0.156636  0.702776  1
  Cu  Cu93  1  0.072405  0.485149  0.711616  1
  Cu  Cu94  1  0.171367  0.991884  0.698385  1
  Cu  Cu95  1  0.335911  0.321488  0.707222  1
  Cu  Cu96  1  0.491627  0.648245  0.715240  1
