# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54353963
_cell_length_b   17.85862381
_cell_length_c   47.49249892
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.91918086
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2151.83534612
_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  0.501372  0.439643  0.294161  1
  Cu  Cu2  1  0.762360  0.917697  0.314972  1
  Cu  Cu3  1  0.063346  0.315632  0.292641  1
  Cu  Cu4  1  0.324026  0.794328  0.313808  1
  Cu  Cu5  1  0.131601  0.179123  0.304667  1
  Cu  Cu6  1  0.871079  0.700181  0.284718  1
  Cu  Cu7  1  0.939234  0.563944  0.295390  1
  Cu  Cu8  1  0.200200  0.042020  0.316472  1
  Cu  Cu9  1  0.024021  0.394328  0.337627  1
  Cu  Cu10  1  0.285004  0.872384  0.358775  1
  Cu  Cu11  1  0.585499  0.271333  0.336144  1
  Cu  Cu12  1  0.846714  0.748939  0.357350  1
  Cu  Cu13  1  0.654393  0.133573  0.348386  1
  Cu  Cu14  1  0.393553  0.655258  0.327558  1
  Cu  Cu15  1  0.462475  0.517442  0.339118  1
  Cu  Cu16  1  0.723491  0.995419  0.360195  1
  Cu  Cu17  1  0.546820  0.348725  0.381068  1
  Cu  Cu18  1  0.808050  0.826278  0.402314  1
  Cu  Cu19  1  0.108436  0.225469  0.379341  1
  Cu  Cu20  1  0.369747  0.702866  0.400876  1
  Cu  Cu21  1  0.177619  0.087128  0.391555  1
  Cu  Cu22  1  0.916310  0.609747  0.370357  1
  Cu  Cu23  1  0.985251  0.471881  0.382675  1
  Cu  Cu24  1  0.246469  0.949452  0.403873  1
  Cu  Cu25  1  0.069765  0.302829  0.424524  1
  Cu  Cu26  1  0.330943  0.780483  0.445910  1
  Cu  Cu27  1  0.631412  0.179519  0.422727  1
  Cu  Cu28  1  0.892618  0.657116  0.444424  1
  Cu  Cu29  1  0.700428  0.041509  0.435095  1
  Cu  Cu30  1  0.439014  0.564336  0.413711  1
  Cu  Cu31  1  0.508110  0.426157  0.426201  1
  Cu  Cu32  1  0.769368  0.903647  0.447516  1
  Cu  Cu33  1  0.592631  0.257093  0.467982  1
  Cu  Cu34  1  0.853808  0.734747  0.489472  1
  Cu  Cu35  1  0.154236  0.133870  0.466220  1
  Cu  Cu36  1  0.415493  0.611361  0.487935  1
  Cu  Cu37  1  0.223242  0.995875  0.478650  1
  Cu  Cu38  1  0.961833  0.518693  0.457142  1
  Cu  Cu39  1  0.030978  0.380414  0.469676  1
  Cu  Cu40  1  0.292219  0.857938  0.491114  1
  Cu  Cu41  1  0.115471  0.211409  0.511467  1
  Cu  Cu42  1  0.376657  0.689043  0.532991  1
  Cu  Cu43  1  0.677063  0.088213  0.509750  1
  Cu  Cu44  1  0.938368  0.565606  0.531422  1
  Cu  Cu45  1  0.746054  0.950248  0.522208  1
  Cu  Cu46  1  0.484697  0.472960  0.500608  1
  Cu  Cu47  1  0.553833  0.334698  0.513153  1
  Cu  Cu48  1  0.815044  0.812285  0.534678  1
  Cu  Cu49  1  0.638307  0.165730  0.554973  1
  Cu  Cu50  1  0.899510  0.643333  0.576461  1
  Cu  Cu51  1  0.199904  0.042524  0.553314  1
  Cu  Cu52  1  0.461254  0.519827  0.574890  1
  Cu  Cu53  1  0.268837  0.904679  0.565775  1
  Cu  Cu54  1  0.007581  0.427186  0.544106  1
  Cu  Cu55  1  0.076678  0.289001  0.556643  1
  Cu  Cu56  1  0.337835  0.766702  0.578204  1
  Cu  Cu57  1  0.161202  0.119934  0.598474  1
  Cu  Cu58  1  0.422434  0.597482  0.619897  1
  Cu  Cu59  1  0.722741  0.996844  0.596958  1
  Cu  Cu60  1  0.984141  0.474048  0.618353  1
  Cu  Cu61  1  0.791570  0.859211  0.609342  1
  Cu  Cu62  1  0.530477  0.381384  0.587658  1
  Cu  Cu63  1  0.599487  0.243376  0.600145  1
  Cu  Cu64  1  0.860745  0.720884  0.621612  1
  Cu  Cu65  1  0.683978  0.074373  0.642035  1
  Cu  Cu66  1  0.945195  0.551955  0.663297  1
  Cu  Cu67  1  0.245565  0.951189  0.640615  1
  Cu  Cu68  1  0.506783  0.428753  0.661669  1
  Cu  Cu69  1  0.314664  0.813030  0.652539  1
  Cu  Cu70  1  0.053370  0.335585  0.631305  1
  Cu  Cu71  1  0.122615  0.197117  0.643354  1
  Cu  Cu72  1  0.383645  0.675095  0.664786  1
  Cu  Cu73  1  0.206333  0.029650  0.685495  1
  Cu  Cu74  1  0.467884  0.506562  0.706649  1
  Cu  Cu75  1  0.768663  0.904979  0.684377  1
  Cu  Cu76  1  0.029959  0.382384  0.704754  1
  Cu  Cu77  1  0.837453  0.767485  0.696211  1
  Cu  Cu78  1  0.576597  0.289106  0.674800  1
  Cu  Cu79  1  0.644240  0.153897  0.687290  1
  Cu  Cu80  1  0.905845  0.630701  0.708246  1
