# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55377244
_cell_length_b   18.07199126
_cell_length_c   47.68640008
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.93888278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2195.2848945
_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  0.502079  0.440390  0.296679  1
  Cu  Cu2  1  0.761639  0.920933  0.316386  1
  Cu  Cu3  1  0.954386  0.535666  0.325409  1
  Cu  Cu4  1  0.692835  0.058749  0.305107  1
  Cu  Cu5  1  0.131554  0.181116  0.306707  1
  Cu  Cu6  1  0.870093  0.704151  0.285915  1
  Cu  Cu7  1  0.569963  0.304197  0.308203  1
  Cu  Cu8  1  0.309267  0.825667  0.287645  1
  Cu  Cu9  1  0.023675  0.397001  0.338617  1
  Cu  Cu10  1  0.284529  0.875198  0.359648  1
  Cu  Cu11  1  0.477057  0.490302  0.368814  1
  Cu  Cu12  1  0.215783  0.012779  0.347503  1
  Cu  Cu13  1  0.654132  0.135986  0.349216  1
  Cu  Cu14  1  0.393014  0.658301  0.327764  1
  Cu  Cu15  1  0.092622  0.258945  0.350802  1
  Cu  Cu16  1  0.831267  0.781693  0.329527  1
  Cu  Cu17  1  0.546147  0.351991  0.381810  1
  Cu  Cu18  1  0.807267  0.829732  0.403477  1
  Cu  Cu19  1  0.999703  0.444961  0.412775  1
  Cu  Cu20  1  0.738451  0.967424  0.391052  1
  Cu  Cu21  1  0.176741  0.090775  0.392769  1
  Cu  Cu22  1  0.915574  0.613165  0.370825  1
  Cu  Cu23  1  0.615039  0.214114  0.394386  1
  Cu  Cu24  1  0.353820  0.736581  0.372696  1
  Cu  Cu25  1  0.068635  0.306992  0.425464  1
  Cu  Cu26  1  0.329961  0.784339  0.447178  1
  Cu  Cu27  1  0.522352  0.399633  0.456608  1
  Cu  Cu28  1  0.261044  0.922236  0.434761  1
  Cu  Cu29  1  0.699342  0.045570  0.436360  1
  Cu  Cu30  1  0.438068  0.568149  0.414396  1
  Cu  Cu31  1  0.137605  0.168974  0.437968  1
  Cu  Cu32  1  0.876356  0.691493  0.416126  1
  Cu  Cu33  1  0.591267  0.261715  0.469120  1
  Cu  Cu34  1  0.852620  0.739011  0.490839  1
  Cu  Cu35  1  0.045016  0.354285  0.500350  1
  Cu  Cu36  1  0.783676  0.876967  0.478405  1
  Cu  Cu37  1  0.221941  1.000364  0.479988  1
  Cu  Cu38  1  0.960659  0.522946  0.458089  1
  Cu  Cu39  1  0.660204  0.123765  0.481570  1
  Cu  Cu40  1  0.398945  0.646300  0.459683  1
  Cu  Cu41  1  0.113915  0.216406  0.512796  1
  Cu  Cu42  1  0.375271  0.693697  0.534478  1
  Cu  Cu43  1  0.567657  0.308986  0.544040  1
  Cu  Cu44  1  0.306291  0.831727  0.522015  1
  Cu  Cu45  1  0.744548  0.955141  0.523618  1
  Cu  Cu46  1  0.483302  0.477641  0.501827  1
  Cu  Cu47  1  0.182819  0.078525  0.525202  1
  Cu  Cu48  1  0.921575  0.601024  0.503319  1
  Cu  Cu49  1  0.636568  0.171087  0.556491  1
  Cu  Cu50  1  0.897923  0.648381  0.578085  1
  Cu  Cu51  1  0.090244  0.263795  0.587662  1
  Cu  Cu52  1  0.828896  0.786508  0.565586  1
  Cu  Cu53  1  0.267136  0.909957  0.567226  1
  Cu  Cu54  1  0.005965  0.432299  0.545584  1
  Cu  Cu55  1  0.705427  0.033301  0.568863  1
  Cu  Cu56  1  0.444244  0.555668  0.547012  1
  Cu  Cu57  1  0.159209  0.125795  0.600242  1
  Cu  Cu58  1  0.420447  0.603316  0.621679  1
  Cu  Cu59  1  0.612626  0.219010  0.631138  1
  Cu  Cu60  1  0.351508  0.741278  0.609129  1
  Cu  Cu61  1  0.789777  0.864669  0.610771  1
  Cu  Cu62  1  0.528621  0.386967  0.589354  1
  Cu  Cu63  1  0.228000  0.988145  0.612563  1
  Cu  Cu64  1  0.966923  0.510289  0.590797  1
  Cu  Cu65  1  0.681867  0.080470  0.644067  1
  Cu  Cu66  1  0.942964  0.558232  0.664802  1
  Cu  Cu67  1  0.135032  0.174187  0.673864  1
  Cu  Cu68  1  0.873992  0.696315  0.652681  1
  Cu  Cu69  1  0.312496  0.819238  0.654302  1
  Cu  Cu70  1  0.051206  0.341778  0.633116  1
  Cu  Cu71  1  0.750854  0.942417  0.656001  1
  Cu  Cu72  1  0.489647  0.464814  0.634687  1
  Cu  Cu73  1  0.205054  0.034111  0.686956  1
  Cu  Cu74  1  0.464601  0.514790  0.706641  1
  Cu  Cu75  1  0.657969  0.128256  0.714792  1
  Cu  Cu76  1  0.396699  0.650967  0.695257  1
  Cu  Cu77  1  0.835120  0.774024  0.696804  1
  Cu  Cu78  1  0.573917  0.296382  0.676024  1
  Cu  Cu79  1  0.273854  0.896361  0.698404  1
  Cu  Cu80  1  0.012256  0.419604  0.677780  1
