# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42078218
_cell_length_b   12.85803924
_cell_length_c   46.07184942
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.06295502
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu96
_cell_volume   2579.55528643
_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  0.262539  0.144905  0.285299  1
  Cu  Cu2  1  0.099441  0.475649  0.294297  1
  Cu  Cu3  1  0.930962  0.806214  0.302935  1
  Cu  Cu4  1  0.671272  0.980931  0.281788  1
  Cu  Cu5  1  0.510931  0.310234  0.289794  1
  Cu  Cu6  1  0.346133  0.640968  0.298826  1
  Cu  Cu7  1  0.766441  0.136106  0.311621  1
  Cu  Cu8  1  0.601755  0.466096  0.320558  1
  Cu  Cu9  1  0.436391  0.796820  0.329362  1
  Cu  Cu10  1  0.180828  0.970648  0.307342  1
  Cu  Cu11  1  0.018383  0.301013  0.316079  1
  Cu  Cu12  1  0.853714  0.631171  0.325136  1
  Cu  Cu13  1  0.272511  0.125730  0.339063  1
  Cu  Cu14  1  0.107095  0.456081  0.348195  1
  Cu  Cu15  1  0.942241  0.785473  0.357361  1
  Cu  Cu16  1  0.688249  0.961137  0.334949  1
  Cu  Cu17  1  0.523436  0.291080  0.343718  1
  Cu  Cu18  1  0.359719  0.621022  0.352773  1
  Cu  Cu19  1  0.777115  0.115897  0.366973  1
  Cu  Cu20  1  0.611566  0.445816  0.376041  1
  Cu  Cu21  1  0.446836  0.775542  0.385214  1
  Cu  Cu22  1  0.194455  0.950417  0.362332  1
  Cu  Cu23  1  0.030090  0.280785  0.371504  1
  Cu  Cu24  1  0.865872  0.610612  0.380667  1
  Cu  Cu25  1  0.281850  0.105465  0.394740  1
  Cu  Cu26  1  0.116461  0.435505  0.403926  1
  Cu  Cu27  1  0.951762  0.765334  0.413176  1
  Cu  Cu28  1  0.700870  0.940376  0.390191  1
  Cu  Cu29  1  0.535957  0.270588  0.399388  1
  Cu  Cu30  1  0.371431  0.600480  0.408532  1
  Cu  Cu31  1  0.786804  0.095286  0.422644  1
  Cu  Cu32  1  0.621637  0.425297  0.431827  1
  Cu  Cu33  1  0.456875  0.755130  0.441090  1
  Cu  Cu34  1  0.206533  0.930233  0.417994  1
  Cu  Cu35  1  0.041457  0.260259  0.427245  1
  Cu  Cu36  1  0.876778  0.590205  0.436454  1
  Cu  Cu37  1  0.291958  0.085042  0.450501  1
  Cu  Cu38  1  0.126862  0.415014  0.459717  1
  Cu  Cu39  1  0.962010  0.744913  0.468998  1
  Cu  Cu40  1  0.711849  0.920041  0.445861  1
  Cu  Cu41  1  0.546760  0.250050  0.455134  1
  Cu  Cu42  1  0.381943  0.579983  0.464344  1
  Cu  Cu43  1  0.797091  0.074818  0.478385  1
  Cu  Cu44  1  0.632079  0.404783  0.487608  1
  Cu  Cu45  1  0.467149  0.734700  0.496891  1
  Cu  Cu46  1  0.217026  0.909841  0.473731  1
  Cu  Cu47  1  0.052011  0.239794  0.483012  1
  Cu  Cu48  1  0.887095  0.569741  0.492237  1
  Cu  Cu49  1  0.302223  0.064589  0.506270  1
  Cu  Cu50  1  0.137308  0.394537  0.515495  1
  Cu  Cu51  1  0.972292  0.724490  0.524776  1
  Cu  Cu52  1  0.722169  0.899631  0.501616  1
  Cu  Cu53  1  0.557239  0.229548  0.510899  1
  Cu  Cu54  1  0.392228  0.559513  0.520122  1
  Cu  Cu55  1  0.807375  0.054348  0.534163  1
  Cu  Cu56  1  0.642558  0.384280  0.543373  1
  Cu  Cu57  1  0.477470  0.714290  0.552646  1
  Cu  Cu58  1  0.227309  0.889417  0.529509  1
  Cu  Cu59  1  0.062456  0.219317  0.538790  1
  Cu  Cu60  1  0.897360  0.549289  0.548006  1
  Cu  Cu61  1  0.312540  0.044126  0.562053  1
  Cu  Cu62  1  0.147861  0.374072  0.571262  1
  Cu  Cu63  1  0.982785  0.704097  0.580513  1
  Cu  Cu64  1  0.732443  0.879200  0.557417  1
  Cu  Cu65  1  0.567682  0.209033  0.566680  1
  Cu  Cu66  1  0.402515  0.539045  0.575863  1
  Cu  Cu67  1  0.817887  0.033850  0.589975  1
  Cu  Cu68  1  0.653361  0.363743  0.599119  1
  Cu  Cu69  1  0.488448  0.693954  0.608316  1
  Cu  Cu70  1  0.237556  0.868997  0.585331  1
  Cu  Cu71  1  0.072857  0.198826  0.594581  1
  Cu  Cu72  1  0.907469  0.528866  0.603767  1
  Cu  Cu73  1  0.323447  0.023719  0.617840  1
  Cu  Cu74  1  0.159228  0.353545  0.627002  1
  Cu  Cu75  1  0.994863  0.683914  0.636175  1
  Cu  Cu76  1  0.742482  0.858788  0.613293  1
  Cu  Cu77  1  0.577753  0.188514  0.622466  1
  Cu  Cu78  1  0.412203  0.518434  0.631534  1
  Cu  Cu79  1  0.829599  0.013308  0.645734  1
  Cu  Cu80  1  0.665882  0.343251  0.654789  1
  Cu  Cu81  1  0.501069  0.673193  0.663558  1
  Cu  Cu82  1  0.247077  0.848857  0.641146  1
  Cu  Cu83  1  0.082223  0.178249  0.650312  1
  Cu  Cu84  1  0.916807  0.508600  0.659444  1
  Cu  Cu85  1  0.335604  0.003160  0.673371  1
  Cu  Cu86  1  0.170935  0.333317  0.682428  1
  Cu  Cu87  1  0.008490  0.663683  0.691165  1
  Cu  Cu88  1  0.752927  0.837511  0.669145  1
  Cu  Cu89  1  0.587563  0.168235  0.677949  1
  Cu  Cu90  1  0.422878  0.498225  0.686886  1
  Cu  Cu91  1  0.843185  0.993362  0.699681  1
  Cu  Cu92  1  0.678387  0.324097  0.708713  1
  Cu  Cu93  1  0.518046  0.653399  0.716719  1
  Cu  Cu94  1  0.258356  0.828117  0.695572  1
  Cu  Cu95  1  0.089877  0.158682  0.704210  1
  Cu  Cu96  1  0.926779  0.489426  0.713207  1
