# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46624123
_cell_length_b   8.35662759
_cell_length_c   46.73521437
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.17845143
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu108
_cell_volume   2521.49780869
_cell_formula_units_Z   108
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  0.375861  0.542128  0.277206  1
  Cu  Cu2  1  0.726287  0.514939  0.291402  1
  Cu  Cu3  1  0.076899  0.485710  0.306337  1
  Cu  Cu4  1  0.637885  0.239714  0.304269  1
  Cu  Cu5  1  0.990148  0.213364  0.321702  1
  Cu  Cu6  1  0.279840  0.266295  0.289768  1
  Cu  Cu7  1  0.403510  0.998041  0.298211  1
  Cu  Cu8  1  0.755208  0.974621  0.315741  1
  Cu  Cu9  1  0.044633  0.027171  0.284244  1
  Cu  Cu10  1  0.523497  0.734293  0.309190  1
  Cu  Cu11  1  0.813805  0.789198  0.278545  1
  Cu  Cu12  1  0.168049  0.760179  0.291998  1
  Cu  Cu13  1  0.435926  0.455983  0.324230  1
  Cu  Cu14  1  0.789387  0.430778  0.340242  1
  Cu  Cu15  1  0.144419  0.402407  0.356470  1
  Cu  Cu16  1  0.699963  0.157114  0.354860  1
  Cu  Cu17  1  0.056057  0.128091  0.371497  1
  Cu  Cu18  1  0.346929  0.181435  0.337974  1
  Cu  Cu19  1  0.465777  0.916752  0.348422  1
  Cu  Cu20  1  0.821126  0.889993  0.365190  1
  Cu  Cu21  1  0.112694  0.943767  0.331736  1
  Cu  Cu22  1  0.588139  0.650154  0.358545  1
  Cu  Cu23  1  0.879912  0.705992  0.325854  1
  Cu  Cu24  1  0.233306  0.676156  0.341327  1
  Cu  Cu25  1  0.499029  0.374329  0.373619  1
  Cu  Cu26  1  0.854833  0.347342  0.390168  1
  Cu  Cu27  1  0.209199  0.319525  0.406859  1
  Cu  Cu28  1  0.766256  0.072897  0.405173  1
  Cu  Cu29  1  0.121400  0.044740  0.421869  1
  Cu  Cu30  1  0.410852  0.099924  0.388433  1
  Cu  Cu31  1  0.531705  0.833581  0.398599  1
  Cu  Cu32  1  0.886951  0.806028  0.415291  1
  Cu  Cu33  1  0.176580  0.860746  0.381690  1
  Cu  Cu34  1  0.652974  0.566870  0.408620  1
  Cu  Cu35  1  0.943553  0.622179  0.375272  1
  Cu  Cu36  1  0.297863  0.594311  0.391751  1
  Cu  Cu37  1  0.564639  0.291881  0.423673  1
  Cu  Cu38  1  0.919844  0.264323  0.440387  1
  Cu  Cu39  1  0.274897  0.236610  0.457088  1
  Cu  Cu40  1  0.831916  0.989524  0.455429  1
  Cu  Cu41  1  0.187089  0.961780  0.472149  1
  Cu  Cu42  1  0.476665  0.017116  0.438707  1
  Cu  Cu43  1  0.597385  0.750543  0.448765  1
  Cu  Cu44  1  0.952617  0.722915  0.465481  1
  Cu  Cu45  1  0.242150  0.778157  0.431960  1
  Cu  Cu46  1  0.718221  0.483935  0.458788  1
  Cu  Cu47  1  0.008081  0.539246  0.425351  1
  Cu  Cu48  1  0.363043  0.511550  0.442003  1
  Cu  Cu49  1  0.630207  0.208977  0.473866  1
  Cu  Cu50  1  0.985428  0.181329  0.490599  1
  Cu  Cu51  1  0.340583  0.153663  0.507313  1
  Cu  Cu52  1  0.897560  0.906487  0.505660  1
  Cu  Cu53  1  0.252726  0.878818  0.522366  1
  Cu  Cu54  1  0.542364  0.934121  0.488933  1
  Cu  Cu55  1  0.663071  0.667561  0.498952  1
  Cu  Cu56  1  0.018283  0.639903  0.515680  1
  Cu  Cu57  1  0.307812  0.695213  0.482181  1
  Cu  Cu58  1  0.783778  0.400958  0.508981  1
  Cu  Cu59  1  0.073415  0.456261  0.475518  1
  Cu  Cu60  1  0.428530  0.428593  0.492214  1
  Cu  Cu61  1  0.695910  0.126004  0.524092  1
  Cu  Cu62  1  0.051071  0.098345  0.540835  1
  Cu  Cu63  1  0.406200  0.070662  0.557537  1
  Cu  Cu64  1  0.963112  0.823561  0.555873  1
  Cu  Cu65  1  0.318194  0.795925  0.572524  1
  Cu  Cu66  1  0.608029  0.851164  0.539152  1
  Cu  Cu67  1  0.728799  0.584632  0.549150  1
  Cu  Cu68  1  0.083960  0.556950  0.565880  1
  Cu  Cu69  1  0.373506  0.612230  0.532365  1
  Cu  Cu70  1  0.849415  0.318022  0.559207  1
  Cu  Cu71  1  0.138966  0.373263  0.525726  1
  Cu  Cu72  1  0.494160  0.345566  0.542415  1
  Cu  Cu73  1  0.761622  0.043023  0.574356  1
  Cu  Cu74  1  0.116577  0.015307  0.591123  1
  Cu  Cu75  1  0.471485  0.987797  0.607774  1
  Cu  Cu76  1  0.028245  0.740809  0.606072  1
  Cu  Cu77  1  0.383147  0.713187  0.622507  1
  Cu  Cu78  1  0.673565  0.768351  0.589390  1
  Cu  Cu79  1  0.794524  0.501889  0.599376  1
  Cu  Cu80  1  0.149649  0.473937  0.616034  1
  Cu  Cu81  1  0.439276  0.529189  0.582495  1
  Cu  Cu82  1  0.914956  0.235280  0.609470  1
  Cu  Cu83  1  0.204603  0.290149  0.575963  1
  Cu  Cu84  1  0.559818  0.262380  0.592618  1
  Cu  Cu85  1  0.827418  0.960011  0.624699  1
  Cu  Cu86  1  0.181174  0.932038  0.641583  1
  Cu  Cu87  1  0.536912  0.904642  0.657638  1
  Cu  Cu88  1  0.093102  0.658216  0.656027  1
  Cu  Cu89  1  0.446324  0.629537  0.671696  1
  Cu  Cu90  1  0.738737  0.685553  0.639711  1
  Cu  Cu91  1  0.860194  0.419744  0.649653  1
  Cu  Cu92  1  0.213944  0.390314  0.665833  1
  Cu  Cu93  1  0.505157  0.445537  0.632518  1
  Cu  Cu94  1  0.978716  0.153249  0.659582  1
  Cu  Cu95  1  0.270203  0.206501  0.626254  1
  Cu  Cu96  1  0.626038  0.178941  0.642881  1
  Cu  Cu97  1  0.892456  0.877262  0.674840  1
  Cu  Cu98  1  0.247023  0.847894  0.691600  1
  Cu  Cu99  1  0.599407  0.819964  0.705762  1
  Cu  Cu100  1  0.156701  0.574070  0.704812  1
  Cu  Cu101  1  0.504826  0.545697  0.718839  1
  Cu  Cu102  1  0.804512  0.604192  0.689556  1
  Cu  Cu103  1  0.922193  0.336936  0.699294  1
  Cu  Cu104  1  0.280338  0.307489  0.713336  1
  Cu  Cu105  1  0.570982  0.362341  0.681983  1
  Cu  Cu106  1  0.047216  0.071346  0.707229  1
  Cu  Cu107  1  0.336566  0.121219  0.675968  1
  Cu  Cu108  1  0.687014  0.097345  0.693109  1
