# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55377147
_cell_length_b   18.07214549
_cell_length_c   47.68592707
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.06110996
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2195.28103734
_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  0.942172  0.440390  0.296683  1
  Cu  Cu2  1  0.682611  0.920933  0.316390  1
  Cu  Cu3  1  0.489865  0.535667  0.325413  1
  Cu  Cu4  1  0.751418  0.058750  0.305111  1
  Cu  Cu5  1  0.312699  0.181116  0.306711  1
  Cu  Cu6  1  0.574160  0.704153  0.285918  1
  Cu  Cu7  1  0.874287  0.304197  0.308207  1
  Cu  Cu8  1  0.134984  0.825667  0.287648  1
  Cu  Cu9  1  0.420575  0.397000  0.338622  1
  Cu  Cu10  1  0.159721  0.875198  0.359652  1
  Cu  Cu11  1  0.967193  0.490302  0.368818  1
  Cu  Cu12  1  0.228468  0.012780  0.347508  1
  Cu  Cu13  1  0.790119  0.135986  0.349220  1
  Cu  Cu14  1  0.051237  0.658300  0.327768  1
  Cu  Cu15  1  0.351627  0.258945  0.350806  1
  Cu  Cu16  1  0.612985  0.781692  0.329531  1
  Cu  Cu17  1  0.898102  0.351991  0.381815  1
  Cu  Cu18  1  0.636984  0.829732  0.403482  1
  Cu  Cu19  1  0.444545  0.444960  0.412780  1
  Cu  Cu20  1  0.705798  0.967423  0.391056  1
  Cu  Cu21  1  0.267509  0.090774  0.392773  1
  Cu  Cu22  1  0.528677  0.613164  0.370829  1
  Cu  Cu23  1  0.829210  0.214113  0.394391  1
  Cu  Cu24  1  0.090430  0.736581  0.372700  1
  Cu  Cu25  1  0.375614  0.306991  0.425469  1
  Cu  Cu26  1  0.114289  0.784338  0.447182  1
  Cu  Cu27  1  0.921897  0.399632  0.456613  1
  Cu  Cu28  1  0.183206  0.922234  0.434766  1
  Cu  Cu29  1  0.744907  0.045569  0.436365  1
  Cu  Cu30  1  0.006182  0.568148  0.414401  1
  Cu  Cu31  1  0.306644  0.168973  0.437972  1
  Cu  Cu32  1  0.567894  0.691492  0.416131  1
  Cu  Cu33  1  0.852982  0.261713  0.469125  1
  Cu  Cu34  1  0.591629  0.739009  0.490843  1
  Cu  Cu35  1  0.399233  0.354283  0.500355  1
  Cu  Cu36  1  0.660574  0.876966  0.478410  1
  Cu  Cu37  1  0.222308  1.000362  0.479992  1
  Cu  Cu38  1  0.483591  0.522944  0.458094  1
  Cu  Cu39  1  0.784046  0.123763  0.481575  1
  Cu  Cu40  1  0.045304  0.646298  0.459688  1
  Cu  Cu41  1  0.330334  0.216404  0.512801  1
  Cu  Cu42  1  0.068978  0.693695  0.534483  1
  Cu  Cu43  1  0.876592  0.308984  0.544045  1
  Cu  Cu44  1  0.137958  0.831725  0.522020  1
  Cu  Cu45  1  0.699701  0.955140  0.523623  1
  Cu  Cu46  1  0.960946  0.477639  0.501832  1
  Cu  Cu47  1  0.261431  0.078524  0.525207  1
  Cu  Cu48  1  0.522674  0.601023  0.503324  1
  Cu  Cu49  1  0.807682  0.171085  0.556497  1
  Cu  Cu50  1  0.546326  0.648379  0.578090  1
  Cu  Cu51  1  0.354005  0.263793  0.587668  1
  Cu  Cu52  1  0.615353  0.786506  0.565592  1
  Cu  Cu53  1  0.177114  0.909954  0.567232  1
  Cu  Cu54  1  0.438285  0.432296  0.545589  1
  Cu  Cu55  1  0.738822  0.033299  0.568869  1
  Cu  Cu56  1  1.000005  0.555666  0.547017  1
  Cu  Cu57  1  0.285041  0.125792  0.600248  1
  Cu  Cu58  1  0.023802  0.603313  0.621685  1
  Cu  Cu59  1  0.831624  0.219007  0.631144  1
  Cu  Cu60  1  0.092740  0.741275  0.609135  1
  Cu  Cu61  1  0.654471  0.864666  0.610776  1
  Cu  Cu62  1  0.915629  0.386964  0.589360  1
  Cu  Cu63  1  0.216248  0.988142  0.612569  1
  Cu  Cu64  1  0.477326  0.510286  0.590802  1
  Cu  Cu65  1  0.762381  0.080468  0.644073  1
  Cu  Cu66  1  0.501286  0.558229  0.664808  1
  Cu  Cu67  1  0.309218  0.174184  0.673870  1
  Cu  Cu68  1  0.570257  0.696313  0.652687  1
  Cu  Cu69  1  0.131752  0.819236  0.654308  1
  Cu  Cu70  1  0.393044  0.341776  0.633122  1
  Cu  Cu71  1  0.693393  0.942414  0.656007  1
  Cu  Cu72  1  0.954601  0.464811  0.634693  1
  Cu  Cu73  1  0.239194  0.034108  0.686962  1
  Cu  Cu74  1  0.979649  0.514787  0.706647  1
  Cu  Cu75  1  0.786280  0.128251  0.714798  1
  Cu  Cu76  1  0.047549  0.650964  0.695263  1
  Cu  Cu77  1  0.609128  0.774020  0.696810  1
  Cu  Cu78  1  0.870333  0.296379  0.676030  1
  Cu  Cu79  1  0.170395  0.896357  0.698410  1
  Cu  Cu80  1  0.431991  0.419600  0.677786  1
