# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41556395
_cell_length_b   12.84562573
_cell_length_c   46.09804384
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.93540713
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu96
_cell_volume   2575.49935355
_cell_formula_units_Z   96
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  0.405591  0.145550  0.284990  1
  Cu  Cu2  1  0.574316  0.476037  0.293946  1
  Cu  Cu3  1  0.735481  0.806420  0.302475  1
  Cu  Cu4  1  0.650313  0.981534  0.281710  1
  Cu  Cu5  1  0.822411  0.310633  0.289469  1
  Cu  Cu6  1  0.988588  0.641476  0.298443  1
  Cu  Cu7  1  0.901681  0.136577  0.311205  1
  Cu  Cu8  1  0.067435  0.466577  0.320089  1
  Cu  Cu9  1  0.232766  0.797498  0.328766  1
  Cu  Cu10  1  0.150534  0.970795  0.306940  1
  Cu  Cu11  1  0.320125  0.301491  0.315658  1
  Cu  Cu12  1  0.485796  0.631639  0.324657  1
  Cu  Cu13  1  0.397930  0.126008  0.338615  1
  Cu  Cu14  1  0.563262  0.456561  0.347761  1
  Cu  Cu15  1  0.727531  0.785868  0.356868  1
  Cu  Cu16  1  0.649364  0.961535  0.334676  1
  Cu  Cu17  1  0.814751  0.291518  0.343314  1
  Cu  Cu18  1  0.981492  0.621533  0.352316  1
  Cu  Cu19  1  0.892847  0.116372  0.366555  1
  Cu  Cu20  1  0.057337  0.446292  0.375584  1
  Cu  Cu21  1  0.222300  0.776006  0.384713  1
  Cu  Cu22  1  0.145106  0.950792  0.361942  1
  Cu  Cu23  1  0.311535  0.281201  0.371080  1
  Cu  Cu24  1  0.477422  0.611057  0.380217  1
  Cu  Cu25  1  0.387210  0.105890  0.394324  1
  Cu  Cu26  1  0.551884  0.435961  0.403496  1
  Cu  Cu27  1  0.717057  0.765780  0.412725  1
  Cu  Cu28  1  0.641966  0.940769  0.389832  1
  Cu  Cu29  1  0.807447  0.271061  0.398997  1
  Cu  Cu30  1  0.972996  0.600957  0.408097  1
  Cu  Cu31  1  0.882065  0.095752  0.422248  1
  Cu  Cu32  1  0.046940  0.425792  0.431402  1
  Cu  Cu33  1  0.212065  0.755616  0.440646  1
  Cu  Cu34  1  0.137733  0.930658  0.417617  1
  Cu  Cu35  1  0.302745  0.260716  0.426851  1
  Cu  Cu36  1  0.468151  0.590686  0.436033  1
  Cu  Cu37  1  0.377064  0.085520  0.450109  1
  Cu  Cu38  1  0.541958  0.415511  0.459301  1
  Cu  Cu39  1  0.707054  0.745418  0.468574  1
  Cu  Cu40  1  0.633017  0.920502  0.445493  1
  Cu  Cu41  1  0.797961  0.250541  0.454753  1
  Cu  Cu42  1  0.963160  0.580492  0.463931  1
  Cu  Cu43  1  0.872052  0.075319  0.478006  1
  Cu  Cu44  1  0.037038  0.405306  0.487200  1
  Cu  Cu45  1  0.202058  0.735232  0.496474  1
  Cu  Cu46  1  0.128093  0.910329  0.473363  1
  Cu  Cu47  1  0.293049  0.240299  0.482637  1
  Cu  Cu48  1  0.458137  0.570265  0.491836  1
  Cu  Cu49  1  0.367026  0.065112  0.505897  1
  Cu  Cu50  1  0.532114  0.395079  0.515096  1
  Cu  Cu51  1  0.697071  0.725049  0.524370  1
  Cu  Cu52  1  0.623106  0.900145  0.501259  1
  Cu  Cu53  1  0.788125  0.230071  0.510533  1
  Cu  Cu54  1  0.953111  0.560059  0.519727  1
  Cu  Cu55  1  0.862003  0.054886  0.533802  1
  Cu  Cu56  1  0.027203  0.384836  0.542980  1
  Cu  Cu57  1  0.192147  0.714876  0.552240  1
  Cu  Cu58  1  0.118109  0.889959  0.529159  1
  Cu  Cu59  1  0.283205  0.219866  0.538432  1
  Cu  Cu60  1  0.448099  0.549858  0.547625  1
  Cu  Cu61  1  0.357012  0.044692  0.561700  1
  Cu  Cu62  1  0.522418  0.374661  0.570882  1
  Cu  Cu63  1  0.687430  0.704719  0.580116  1
  Cu  Cu64  1  0.613099  0.879761  0.557087  1
  Cu  Cu65  1  0.778224  0.209585  0.566331  1
  Cu  Cu66  1  0.943098  0.539626  0.575485  1
  Cu  Cu67  1  0.852168  0.034421  0.589636  1
  Cu  Cu68  1  0.017716  0.364317  0.598736  1
  Cu  Cu69  1  0.183198  0.694609  0.607901  1
  Cu  Cu70  1  0.108106  0.869597  0.585008  1
  Cu  Cu71  1  0.273280  0.199417  0.594237  1
  Cu  Cu72  1  0.437954  0.529487  0.603409  1
  Cu  Cu73  1  0.347741  0.024321  0.617516  1
  Cu  Cu74  1  0.513629  0.354176  0.626653  1
  Cu  Cu75  1  0.680057  0.684586  0.635791  1
  Cu  Cu76  1  0.602864  0.859371  0.613020  1
  Cu  Cu77  1  0.767826  0.189086  0.622149  1
  Cu  Cu78  1  0.932316  0.519006  0.631178  1
  Cu  Cu79  1  0.843672  0.013845  0.645417  1
  Cu  Cu80  1  0.010413  0.343860  0.654419  1
  Cu  Cu81  1  0.175800  0.673842  0.663057  1
  Cu  Cu82  1  0.097633  0.849509  0.640865  1
  Cu  Cu83  1  0.261901  0.178817  0.649972  1
  Cu  Cu84  1  0.427233  0.509370  0.659119  1
  Cu  Cu85  1  0.339367  0.003739  0.673076  1
  Cu  Cu86  1  0.505038  0.333886  0.682075  1
  Cu  Cu87  1  0.674630  0.664582  0.690793  1
  Cu  Cu88  1  0.592398  0.837880  0.668967  1
  Cu  Cu89  1  0.757728  0.168800  0.677644  1
  Cu  Cu90  1  0.923483  0.498800  0.686528  1
  Cu  Cu91  1  0.836576  0.993901  0.699291  1
  Cu  Cu92  1  1.002752  0.324745  0.708264  1
  Cu  Cu93  1  0.174850  0.653844  0.716023  1
  Cu  Cu94  1  0.089682  0.828957  0.695258  1
  Cu  Cu95  1  0.250847  0.159340  0.703787  1
  Cu  Cu96  1  0.419572  0.489827  0.712743  1
