# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53749913
_cell_length_b   17.89612779
_cell_length_c   47.50702832
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.07292995
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2151.91256073
_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  0.312559  0.180480  0.305111  1
  Cu  Cu2  1  0.572726  0.700755  0.284895  1
  Cu  Cu3  1  0.380926  0.317212  0.293267  1
  Cu  Cu4  1  0.120171  0.795536  0.313832  1
  Cu  Cu5  1  0.942703  0.440589  0.294584  1
  Cu  Cu6  1  0.682047  0.919178  0.315548  1
  Cu  Cu7  1  0.504679  0.564452  0.295851  1
  Cu  Cu8  1  0.244011  0.043072  0.316807  1
  Cu  Cu9  1  0.789647  0.134525  0.348072  1
  Cu  Cu10  1  0.050645  0.656522  0.327138  1
  Cu  Cu11  1  0.858431  0.272208  0.336056  1
  Cu  Cu12  1  0.597478  0.750177  0.357084  1
  Cu  Cu13  1  0.420092  0.395401  0.337472  1
  Cu  Cu14  1  0.159202  0.873545  0.358546  1
  Cu  Cu15  1  0.981777  0.518688  0.338880  1
  Cu  Cu16  1  0.720864  0.996820  0.359937  1
  Cu  Cu17  1  0.266732  0.088658  0.391430  1
  Cu  Cu18  1  0.528010  0.611228  0.370118  1
  Cu  Cu19  1  0.335638  0.226577  0.379313  1
  Cu  Cu20  1  0.074532  0.704296  0.400770  1
  Cu  Cu21  1  0.897392  0.349996  0.380975  1
  Cu  Cu22  1  0.636293  0.827746  0.402161  1
  Cu  Cu23  1  0.459119  0.473376  0.382461  1
  Cu  Cu24  1  0.197989  0.951082  0.403644  1
  Cu  Cu25  1  0.744032  0.043248  0.435049  1
  Cu  Cu26  1  0.005382  0.565961  0.413579  1
  Cu  Cu27  1  0.812876  0.181027  0.422800  1
  Cu  Cu28  1  0.551744  0.658722  0.444436  1
  Cu  Cu29  1  0.374611  0.304427  0.424482  1
  Cu  Cu30  1  0.113506  0.782181  0.445818  1
  Cu  Cu31  1  0.936383  0.427905  0.426030  1
  Cu  Cu32  1  0.675204  0.905518  0.447328  1
  Cu  Cu33  1  0.221313  0.997809  0.478658  1
  Cu  Cu34  1  0.482648  0.520488  0.457103  1
  Cu  Cu35  1  0.290178  0.135616  0.466365  1
  Cu  Cu36  1  0.028961  0.613155  0.488043  1
  Cu  Cu37  1  0.851877  0.258953  0.468008  1
  Cu  Cu38  1  0.590747  0.736664  0.489449  1
  Cu  Cu39  1  0.413628  0.382394  0.469572  1
  Cu  Cu40  1  0.152457  0.860022  0.490974  1
  Cu  Cu41  1  0.698599  0.952378  0.522265  1
  Cu  Cu42  1  0.959874  0.474939  0.500666  1
  Cu  Cu43  1  0.767463  0.090181  0.509955  1
  Cu  Cu44  1  0.506184  0.567599  0.531613  1
  Cu  Cu45  1  0.329156  0.213509  0.511566  1
  Cu  Cu46  1  0.068002  0.691170  0.533039  1
  Cu  Cu47  1  0.890880  0.336898  0.513129  1
  Cu  Cu48  1  0.629733  0.814567  0.534591  1
  Cu  Cu49  1  0.175901  0.906977  0.565874  1
  Cu  Cu50  1  0.437077  0.429346  0.544274  1
  Cu  Cu51  1  0.244737  0.044728  0.553566  1
  Cu  Cu52  1  0.983410  0.522046  0.575151  1
  Cu  Cu53  1  0.806442  0.168083  0.555145  1
  Cu  Cu54  1  0.545265  0.645689  0.576579  1
  Cu  Cu55  1  0.368143  0.291426  0.556713  1
  Cu  Cu56  1  0.107047  0.769178  0.578176  1
  Cu  Cu57  1  0.653251  0.861662  0.609495  1
  Cu  Cu58  1  0.914255  0.383712  0.587963  1
  Cu  Cu59  1  0.721999  0.999253  0.597228  1
  Cu  Cu60  1  0.460662  0.476548  0.618657  1
  Cu  Cu61  1  0.283700  0.122602  0.598712  1
  Cu  Cu62  1  0.022498  0.600145  0.620077  1
  Cu  Cu63  1  0.845453  0.246048  0.600329  1
  Cu  Cu64  1  0.584324  0.723704  0.621675  1
  Cu  Cu65  1  0.130425  0.815970  0.652856  1
  Cu  Cu66  1  0.391409  0.338043  0.631813  1
  Cu  Cu67  1  0.199221  0.953700  0.640917  1
  Cu  Cu68  1  0.938128  0.431486  0.661976  1
  Cu  Cu69  1  0.760927  0.077061  0.642268  1
  Cu  Cu70  1  0.499855  0.554852  0.663551  1
  Cu  Cu71  1  0.322572  0.200274  0.643717  1
  Cu  Cu72  1  0.061589  0.678192  0.664926  1
  Cu  Cu73  1  0.607589  0.770174  0.695806  1
  Cu  Cu74  1  0.868449  0.292171  0.675269  1
  Cu  Cu75  1  0.676194  0.907675  0.684061  1
  Cu  Cu76  1  0.416056  0.387383  0.704384  1
  Cu  Cu77  1  0.238227  0.031681  0.685158  1
  Cu  Cu78  1  0.977526  0.510223  0.706382  1
  Cu  Cu79  1  0.800036  0.155131  0.686620  1
  Cu  Cu80  1  0.539244  0.633486  0.707722  1
