# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53697545
_cell_length_b   25.04917571
_cell_length_c   48.67183945
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.08626014
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu120
_cell_volume   3089.05501705
_cell_formula_units_Z   120
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  0.005411  0.955169  0.274640  1
  Cu  Cu2  1  0.840730  0.284926  0.289285  1
  Cu  Cu3  1  0.674593  0.616610  0.302759  1
  Cu  Cu4  1  0.465192  0.035335  0.292122  1
  Cu  Cu5  1  0.300400  0.365354  0.306867  1
  Cu  Cu6  1  0.630970  0.703830  0.278657  1
  Cu  Cu7  1  0.922513  0.120396  0.281874  1
  Cu  Cu8  1  0.757544  0.450884  0.295786  1
  Cu  Cu9  1  0.591981  0.781838  0.310004  1
  Cu  Cu10  1  0.883977  0.197901  0.313522  1
  Cu  Cu11  1  0.214875  0.536119  0.285120  1
  Cu  Cu12  1  0.049154  0.867440  0.298713  1
  Cu  Cu13  1  0.509376  0.947124  0.318781  1
  Cu  Cu14  1  0.344176  0.277774  0.333688  1
  Cu  Cu15  1  0.178693  0.608443  0.348129  1
  Cu  Cu16  1  0.969279  0.027213  0.337237  1
  Cu  Cu17  1  0.804088  0.357904  0.352138  1
  Cu  Cu18  1  0.134704  0.696395  0.322888  1
  Cu  Cu19  1  0.426618  0.112428  0.326251  1
  Cu  Cu20  1  0.261436  0.443091  0.340636  1
  Cu  Cu21  1  0.095842  0.774144  0.355597  1
  Cu  Cu22  1  0.387890  0.190082  0.359209  1
  Cu  Cu23  1  0.718757  0.528363  0.329428  1
  Cu  Cu24  1  0.553318  0.859150  0.343931  1
  Cu  Cu25  1  0.013368  0.939109  0.363798  1
  Cu  Cu26  1  0.847993  0.270003  0.378863  1
  Cu  Cu27  1  0.682552  0.600744  0.393822  1
  Cu  Cu28  1  0.473268  0.019284  0.382875  1
  Cu  Cu29  1  0.307958  0.350085  0.397863  1
  Cu  Cu30  1  0.638634  0.688567  0.367877  1
  Cu  Cu31  1  0.930555  0.104676  0.371414  1
  Cu  Cu32  1  0.765305  0.435319  0.386183  1
  Cu  Cu33  1  0.599824  0.766195  0.401345  1
  Cu  Cu34  1  0.891808  0.182245  0.404945  1
  Cu  Cu35  1  0.222607  0.520654  0.374690  1
  Cu  Cu36  1  0.057203  0.851407  0.389633  1
  Cu  Cu37  1  0.517207  0.931434  0.409243  1
  Cu  Cu38  1  0.351826  0.262274  0.424339  1
  Cu  Cu39  1  0.186441  0.592974  0.439425  1
  Cu  Cu40  1  0.977172  0.011509  0.428497  1
  Cu  Cu41  1  0.811811  0.342327  0.443517  1
  Cu  Cu42  1  0.142529  0.680801  0.413297  1
  Cu  Cu43  1  0.434495  0.096845  0.416860  1
  Cu  Cu44  1  0.269152  0.427597  0.431793  1
  Cu  Cu45  1  0.103719  0.758418  0.446980  1
  Cu  Cu46  1  0.395701  0.174457  0.450554  1
  Cu  Cu47  1  0.726473  0.512908  0.420168  1
  Cu  Cu48  1  0.561070  0.843692  0.435284  1
  Cu  Cu49  1  0.021072  0.923715  0.454781  1
  Cu  Cu50  1  0.855689  0.254518  0.469871  1
  Cu  Cu51  1  0.690316  0.585220  0.484991  1
  Cu  Cu52  1  0.481059  0.003755  0.474102  1
  Cu  Cu53  1  0.315673  0.334571  0.489125  1
  Cu  Cu54  1  0.646412  0.673046  0.458787  1
  Cu  Cu55  1  0.938387  0.089084  0.462380  1
  Cu  Cu56  1  0.773008  0.419862  0.477403  1
  Cu  Cu57  1  0.607598  0.750671  0.492550  1
  Cu  Cu58  1  0.899582  0.166694  0.496118  1
  Cu  Cu59  1  0.230338  0.505161  0.465712  1
  Cu  Cu60  1  0.064937  0.835976  0.480895  1
  Cu  Cu61  1  0.524941  0.915992  0.500369  1
  Cu  Cu62  1  0.359556  0.246768  0.515426  1
  Cu  Cu63  1  0.194181  0.577476  0.530538  1
  Cu  Cu64  1  0.984942  0.996003  0.519711  1
  Cu  Cu65  1  0.819531  0.326833  0.534703  1
  Cu  Cu66  1  0.150288  0.665300  0.504306  1
  Cu  Cu67  1  0.442273  0.081324  0.507937  1
  Cu  Cu68  1  0.276863  0.412129  0.523011  1
  Cu  Cu69  1  0.111470  0.742941  0.538074  1
  Cu  Cu70  1  0.403460  0.158941  0.541655  1
  Cu  Cu71  1  0.734200  0.497417  0.511289  1
  Cu  Cu72  1  0.568802  0.828265  0.526483  1
  Cu  Cu73  1  0.028816  0.908261  0.546002  1
  Cu  Cu74  1  0.863424  0.239026  0.560996  1
  Cu  Cu75  1  0.698032  0.569744  0.576059  1
  Cu  Cu76  1  0.488828  0.988244  0.565327  1
  Cu  Cu77  1  0.323381  0.319117  0.580246  1
  Cu  Cu78  1  0.654161  0.657557  0.549845  1
  Cu  Cu79  1  0.946161  0.073554  0.553525  1
  Cu  Cu80  1  0.780705  0.404420  0.568622  1
  Cu  Cu81  1  0.615341  0.735224  0.583540  1
  Cu  Cu82  1  0.907337  0.151195  0.587152  1
  Cu  Cu83  1  0.238053  0.489678  0.556894  1
  Cu  Cu84  1  0.072665  0.820565  0.572056  1
  Cu  Cu85  1  0.532702  0.900517  0.591704  1
  Cu  Cu86  1  0.367291  0.231296  0.606597  1
  Cu  Cu87  1  0.201829  0.562087  0.621530  1
  Cu  Cu88  1  0.992726  0.980463  0.610929  1
  Cu  Cu89  1  0.827215  0.311433  0.625720  1
  Cu  Cu90  1  0.158040  0.649798  0.595425  1
  Cu  Cu91  1  0.450060  0.065762  0.599159  1
  Cu  Cu92  1  0.284521  0.396758  0.614230  1
  Cu  Cu93  1  0.119264  0.727426  0.628901  1
  Cu  Cu94  1  0.411202  0.143477  0.632565  1
  Cu  Cu95  1  0.741878  0.481973  0.602548  1
  Cu  Cu96  1  0.576514  0.812902  0.617613  1
  Cu  Cu97  1  0.036590  0.892779  0.637539  1
  Cu  Cu98  1  0.871102  0.223692  0.652285  1
  Cu  Cu99  1  0.705589  0.554425  0.666703  1
  Cu  Cu100  1  0.496603  0.972728  0.656369  1
  Cu  Cu101  1  0.331025  0.303800  0.670984  1
  Cu  Cu102  1  0.661911  0.642054  0.641152  1
  Cu  Cu103  1  0.954019  0.057848  0.644878  1
  Cu  Cu104  1  0.788351  0.389063  0.659772  1
  Cu  Cu105  1  0.623083  0.719898  0.673996  1
  Cu  Cu106  1  0.915035  0.135837  0.677535  1
  Cu  Cu107  1  0.245704  0.474242  0.648273  1
  Cu  Cu108  1  0.080514  0.804936  0.662971  1
  Cu  Cu109  1  0.540653  0.884691  0.683048  1
  Cu  Cu110  1  0.375157  0.215609  0.697667  1
  Cu  Cu111  1  0.209001  0.547341  0.711090  1
  Cu  Cu112  1  1.000350  0.965261  0.700845  1
  Cu  Cu113  1  0.834876  0.296105  0.715297  1
  Cu  Cu114  1  0.165741  0.634400  0.686829  1
  Cu  Cu115  1  0.457697  0.050506  0.690353  1
  Cu  Cu116  1  0.292214  0.381326  0.704616  1
  Cu  Cu117  1  0.127024  0.712218  0.718240  1
  Cu  Cu118  1  0.418772  0.128395  0.721770  1
  Cu  Cu119  1  0.749356  0.466862  0.693541  1
  Cu  Cu120  1  0.584467  0.797008  0.707760  1
