# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54932003
_cell_length_b   16.95683183
_cell_length_c   48.70572809
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.66951930
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2099.45936329
_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  0.901755  0.143099  0.287008  1
  Cu  Cu2  1  0.655451  0.634880  0.307405  1
  Cu  Cu3  1  0.342818  0.260598  0.306101  1
  Cu  Cu4  1  0.588717  0.768463  0.284721  1
  Cu  Cu5  1  0.025252  0.894827  0.275991  1
  Cu  Cu6  1  0.778519  0.388899  0.297349  1
  Cu  Cu7  1  0.968363  0.009056  0.308518  1
  Cu  Cu8  1  0.214708  0.516422  0.288723  1
  Cu  Cu9  1  0.410289  0.125575  0.330638  1
  Cu  Cu10  1  0.164259  0.617329  0.352684  1
  Cu  Cu11  1  0.851604  0.242953  0.351049  1
  Cu  Cu12  1  0.097171  0.751480  0.328930  1
  Cu  Cu13  1  0.532722  0.880209  0.319702  1
  Cu  Cu14  1  0.287151  0.371678  0.341600  1
  Cu  Cu15  1  0.476929  0.991975  0.354336  1
  Cu  Cu16  1  0.722827  0.500219  0.332301  1
  Cu  Cu17  1  0.918593  0.108801  0.375894  1
  Cu  Cu18  1  0.672762  0.600356  0.398541  1
  Cu  Cu19  1  0.360086  0.225889  0.396951  1
  Cu  Cu20  1  0.605878  0.734101  0.374411  1
  Cu  Cu21  1  0.041370  0.863061  0.364828  1
  Cu  Cu22  1  0.795759  0.354434  0.387140  1
  Cu  Cu23  1  0.985524  0.974798  0.400131  1
  Cu  Cu24  1  0.231314  0.483239  0.377522  1
  Cu  Cu25  1  0.427053  0.091822  0.421461  1
  Cu  Cu26  1  0.181366  0.583161  0.444254  1
  Cu  Cu27  1  0.868598  0.208805  0.442709  1
  Cu  Cu28  1  0.114354  0.717194  0.420084  1
  Cu  Cu29  1  0.549982  0.845898  0.410255  1
  Cu  Cu30  1  0.304249  0.337429  0.432781  1
  Cu  Cu31  1  0.494093  0.957666  0.445766  1
  Cu  Cu32  1  0.739854  0.466150  0.422978  1
  Cu  Cu33  1  0.935609  0.074690  0.467067  1
  Cu  Cu34  1  0.689946  0.566004  0.489921  1
  Cu  Cu35  1  0.377152  0.191665  0.488384  1
  Cu  Cu36  1  0.622925  0.700080  0.465719  1
  Cu  Cu37  1  0.058527  0.828834  0.455792  1
  Cu  Cu38  1  0.812780  0.320348  0.478448  1
  Cu  Cu39  1  1.002671  0.940515  0.491363  1
  Cu  Cu40  1  0.248404  0.449041  0.468550  1
  Cu  Cu41  1  0.444191  0.057520  0.512687  1
  Cu  Cu42  1  0.198515  0.548862  0.535567  1
  Cu  Cu43  1  0.885717  0.174517  0.534001  1
  Cu  Cu44  1  0.131495  0.682952  0.511354  1
  Cu  Cu45  1  0.567099  0.811700  0.501383  1
  Cu  Cu46  1  0.321330  0.303231  0.524117  1
  Cu  Cu47  1  0.511263  0.923340  0.536953  1
  Cu  Cu48  1  0.756960  0.431913  0.514188  1
  Cu  Cu49  1  0.952797  0.040308  0.558314  1
  Cu  Cu50  1  0.707068  0.531743  0.581182  1
  Cu  Cu51  1  0.394296  0.157347  0.579545  1
  Cu  Cu52  1  0.640056  0.665837  0.556991  1
  Cu  Cu53  1  0.075686  0.794538  0.547014  1
  Cu  Cu54  1  0.829875  0.286121  0.569773  1
  Cu  Cu55  1  0.019880  0.906130  0.582536  1
  Cu  Cu56  1  0.265519  0.414764  0.559870  1
  Cu  Cu57  1  0.461455  0.023000  0.603963  1
  Cu  Cu58  1  0.215466  0.514898  0.626743  1
  Cu  Cu59  1  0.902911  0.140105  0.624972  1
  Cu  Cu60  1  0.148584  0.648792  0.602632  1
  Cu  Cu61  1  0.584283  0.777363  0.592707  1
  Cu  Cu62  1  0.338434  0.268975  0.615388  1
  Cu  Cu63  1  0.528497  0.888937  0.628124  1
  Cu  Cu64  1  0.774035  0.397669  0.605627  1
  Cu  Cu65  1  0.970019  0.005897  0.649737  1
  Cu  Cu66  1  0.724157  0.497331  0.671704  1
  Cu  Cu67  1  0.411495  0.122926  0.670178  1
  Cu  Cu68  1  0.657009  0.631972  0.648256  1
  Cu  Cu69  1  0.093014  0.759943  0.638511  1
  Cu  Cu70  1  0.847162  0.251484  0.660931  1
  Cu  Cu71  1  0.037222  0.871550  0.673248  1
  Cu  Cu72  1  0.282722  0.380179  0.651478  1
  Cu  Cu73  1  0.478964  0.988058  0.694960  1
  Cu  Cu74  1  0.232291  0.480551  0.715205  1
  Cu  Cu75  1  0.919709  0.106523  0.713731  1
  Cu  Cu76  1  0.166322  0.613488  0.692879  1
  Cu  Cu77  1  0.601706  0.742634  0.684002  1
  Cu  Cu78  1  0.355832  0.234176  0.705171  1
  Cu  Cu79  1  0.545451  0.855169  0.716957  1
  Cu  Cu80  1  0.791482  0.362569  0.696436  1
