# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38879073
_cell_length_b   8.67332258
_cell_length_c   45.68981662
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.70525878
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu64
_cell_volume   1682.23257045
_cell_formula_units_Z   64
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  0.835314  0.774076  0.280954  1
  Cu  Cu2  1  0.608803  0.013124  0.286877  1
  Cu  Cu3  1  0.073059  0.256983  0.293440  1
  Cu  Cu4  1  0.540010  0.502021  0.299458  1
  Cu  Cu5  1  0.317627  0.744255  0.306512  1
  Cu  Cu6  1  0.101348  0.992133  0.313907  1
  Cu  Cu7  1  0.562174  0.235712  0.320349  1
  Cu  Cu8  1  0.025159  0.480329  0.326666  1
  Cu  Cu9  1  0.805662  0.723678  0.334641  1
  Cu  Cu10  1  0.589390  0.967213  0.341174  1
  Cu  Cu11  1  0.049023  0.212887  0.348095  1
  Cu  Cu12  1  0.510483  0.456675  0.354648  1
  Cu  Cu13  1  0.293674  0.700605  0.361894  1
  Cu  Cu14  1  0.078278  0.945373  0.369018  1
  Cu  Cu15  1  0.537402  0.189493  0.375720  1
  Cu  Cu16  1  0.997997  0.434094  0.382491  1
  Cu  Cu17  1  0.781732  0.677818  0.389863  1
  Cu  Cu18  1  0.566133  0.922209  0.396780  1
  Cu  Cu19  1  0.025639  0.166838  0.403670  1
  Cu  Cu20  1  0.485983  0.410878  0.410478  1
  Cu  Cu21  1  0.269941  0.655049  0.417611  1
  Cu  Cu22  1  0.054305  0.899457  0.424646  1
  Cu  Cu23  1  0.514034  0.143812  0.431491  1
  Cu  Cu24  1  0.974273  0.388179  0.438378  1
  Cu  Cu25  1  0.758198  0.632223  0.445494  1
  Cu  Cu26  1  0.542507  0.876561  0.452467  1
  Cu  Cu27  1  1.002422  0.120985  0.459368  1
  Cu  Cu28  1  0.462596  0.365225  0.466275  1
  Cu  Cu29  1  0.246613  0.609427  0.473334  1
  Cu  Cu30  1  0.030801  0.853710  0.480324  1
  Cu  Cu31  1  0.490859  0.098081  0.487217  1
  Cu  Cu32  1  0.951023  0.342407  0.494148  1
  Cu  Cu33  1  0.735003  0.586555  0.501207  1
  Cu  Cu34  1  0.519140  0.830852  0.508177  1
  Cu  Cu35  1  0.979307  0.075209  0.515072  1
  Cu  Cu36  1  0.439443  0.319529  0.522023  1
  Cu  Cu37  1  0.223471  0.563742  0.529074  1
  Cu  Cu38  1  0.007450  0.807939  0.536034  1
  Cu  Cu39  1  0.467768  0.052363  0.542927  1
  Cu  Cu40  1  0.927922  0.296716  0.549863  1
  Cu  Cu41  1  0.711810  0.540806  0.556969  1
  Cu  Cu42  1  0.495758  0.785114  0.563914  1
  Cu  Cu43  1  0.956227  0.029431  0.570759  1
  Cu  Cu44  1  0.416303  0.273898  0.577746  1
  Cu  Cu45  1  0.200300  0.518099  0.584849  1
  Cu  Cu46  1  0.983848  0.762053  0.591763  1
  Cu  Cu47  1  0.444640  0.006684  0.598618  1
  Cu  Cu48  1  0.904735  0.251086  0.605491  1
  Cu  Cu49  1  0.688315  0.494954  0.612837  1
  Cu  Cu50  1  0.471958  0.739401  0.619715  1
  Cu  Cu51  1  0.932978  0.983410  0.626413  1
  Cu  Cu52  1  0.393002  0.228283  0.633462  1
  Cu  Cu53  1  0.176888  0.472295  0.640619  1
  Cu  Cu54  1  0.959520  0.715973  0.647434  1
  Cu  Cu55  1  0.421256  0.961612  0.654206  1
  Cu  Cu56  1  0.882246  0.205262  0.660702  1
  Cu  Cu57  1  0.665116  0.448245  0.668601  1
  Cu  Cu58  1  0.445082  0.693276  0.675127  1
  Cu  Cu59  1  0.908960  0.937222  0.681623  1
  Cu  Cu60  1  0.370308  0.183858  0.688836  1
  Cu  Cu61  1  0.152957  0.427549  0.695747  1
  Cu  Cu62  1  0.931394  0.670968  0.702112  1
  Cu  Cu63  1  0.394862  0.914424  0.708481  1
  Cu  Cu64  1  0.853336  0.156955  0.714348  1
