# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53314463
_cell_length_b   18.05070545
_cell_length_c   47.54796138
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.98537733
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2168.79793785
_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  0.498332  0.447136  0.294009  1
  Cu  Cu2  1  0.758301  0.927588  0.313993  1
  Cu  Cu3  1  0.949268  0.545352  0.321546  1
  Cu  Cu4  1  0.690159  0.063549  0.302802  1
  Cu  Cu5  1  0.128444  0.187183  0.303850  1
  Cu  Cu6  1  0.869141  0.705762  0.285577  1
  Cu  Cu7  1  0.566097  0.311937  0.304985  1
  Cu  Cu8  1  0.307640  0.828882  0.286297  1
  Cu  Cu9  1  0.019405  0.405081  0.336566  1
  Cu  Cu10  1  0.279703  0.884706  0.358092  1
  Cu  Cu11  1  0.471764  0.500357  0.365796  1
  Cu  Cu12  1  0.211376  0.021186  0.346042  1
  Cu  Cu13  1  0.649824  0.144386  0.347084  1
  Cu  Cu14  1  0.389054  0.665915  0.327833  1
  Cu  Cu15  1  0.088172  0.267745  0.348298  1
  Cu  Cu16  1  0.827466  0.789183  0.329159  1
  Cu  Cu17  1  0.541071  0.361785  0.379600  1
  Cu  Cu18  1  0.801719  0.840627  0.402000  1
  Cu  Cu19  1  0.993775  0.456331  0.410056  1
  Cu  Cu20  1  0.733086  0.977777  0.389526  1
  Cu  Cu21  1  0.171348  0.101317  0.390720  1
  Cu  Cu22  1  0.911187  0.621634  0.370409  1
  Cu  Cu23  1  0.609694  0.224686  0.391988  1
  Cu  Cu24  1  0.349148  0.745786  0.372123  1
  Cu  Cu25  1  0.062654  0.318639  0.423199  1
  Cu  Cu26  1  0.323709  0.796603  0.445676  1
  Cu  Cu27  1  0.515598  0.412674  0.454063  1
  Cu  Cu28  1  0.254865  0.934210  0.433137  1
  Cu  Cu29  1  0.693091  0.057810  0.434394  1
  Cu  Cu30  1  0.432856  0.578280  0.413535  1
  Cu  Cu31  1  0.131364  0.181320  0.435715  1
  Cu  Cu32  1  0.871010  0.702045  0.415308  1
  Cu  Cu33  1  0.584407  0.275133  0.466855  1
  Cu  Cu34  1  0.845631  0.752739  0.489274  1
  Cu  Cu35  1  0.037404  0.369057  0.497819  1
  Cu  Cu36  1  0.776750  0.890416  0.476706  1
  Cu  Cu37  1  0.214946  0.014075  0.478028  1
  Cu  Cu38  1  0.954526  0.534923  0.456956  1
  Cu  Cu39  1  0.653181  0.137662  0.479373  1
  Cu  Cu40  1  0.392813  0.658421  0.458661  1
  Cu  Cu41  1  0.106252  0.231424  0.510502  1
  Cu  Cu42  1  0.367497  0.708991  0.532839  1
  Cu  Cu43  1  0.559167  0.325525  0.541353  1
  Cu  Cu44  1  0.298640  0.846615  0.520278  1
  Cu  Cu45  1  0.736844  0.970257  0.521629  1
  Cu  Cu46  1  0.476283  0.491401  0.500562  1
  Cu  Cu47  1  0.175059  0.093881  0.522984  1
  Cu  Cu48  1  0.914627  0.614777  0.502156  1
  Cu  Cu49  1  0.628159  0.187579  0.554134  1
  Cu  Cu50  1  0.889271  0.665428  0.576378  1
  Cu  Cu51  1  0.080875  0.282105  0.584618  1
  Cu  Cu52  1  0.820505  0.802862  0.563882  1
  Cu  Cu53  1  0.258759  0.926408  0.565220  1
  Cu  Cu54  1  0.998101  0.447757  0.544328  1
  Cu  Cu55  1  0.696948  0.050082  0.566564  1
  Cu  Cu56  1  0.436460  0.571099  0.545782  1
  Cu  Cu57  1  0.150113  0.143640  0.597817  1
  Cu  Cu58  1  0.410890  0.622193  0.619841  1
  Cu  Cu59  1  0.602380  0.239086  0.627564  1
  Cu  Cu60  1  0.342264  0.759308  0.607556  1
  Cu  Cu61  1  0.780654  0.882591  0.608858  1
  Cu  Cu62  1  0.519980  0.403999  0.588254  1
  Cu  Cu63  1  0.218932  0.006096  0.610072  1
  Cu  Cu64  1  0.958291  0.527434  0.589552  1
  Cu  Cu65  1  0.672490  0.098845  0.641479  1
  Cu  Cu66  1  0.932553  0.578894  0.662716  1
  Cu  Cu67  1  0.124546  0.194751  0.669483  1
  Cu  Cu68  1  0.863848  0.716116  0.651207  1
  Cu  Cu69  1  0.302278  0.839317  0.652487  1
  Cu  Cu70  1  0.042063  0.359822  0.632293  1
  Cu  Cu71  1  0.740789  0.962386  0.653514  1
  Cu  Cu72  1  0.480293  0.483418  0.633377  1
  Cu  Cu73  1  0.194111  0.055561  0.685466  1
  Cu  Cu74  1  0.454012  0.536055  0.705163  1
  Cu  Cu75  1  0.644053  0.155750  0.711224  1
  Cu  Cu76  1  0.386140  0.671487  0.694480  1
  Cu  Cu77  1  0.823776  0.796274  0.695710  1
  Cu  Cu78  1  0.564540  0.314842  0.676616  1
  Cu  Cu79  1  0.262063  0.919892  0.696776  1
  Cu  Cu80  1  0.002306  0.439370  0.676885  1
