# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10076529
_cell_length_b   11.34155401
_cell_length_c   49.86548397
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu108
_cell_volume   2811.70495771
_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  0.584022  0.164086  0.323391  1
  Cu  Cu2  1  0.269873  0.535106  0.290717  1
  Cu  Cu3  1  0.426989  0.849889  0.307888  1
  Cu  Cu4  1  0.267399  0.030891  0.291279  1
  Cu  Cu5  1  0.425757  0.347113  0.306416  1
  Cu  Cu6  1  0.113058  0.721767  0.275592  1
  Cu  Cu7  1  0.767399  0.030891  0.291279  1
  Cu  Cu8  1  0.925757  0.347113  0.306416  1
  Cu  Cu9  1  0.613058  0.721767  0.275592  1
  Cu  Cu10  1  0.084022  0.164086  0.323391  1
  Cu  Cu11  1  0.769873  0.535106  0.290717  1
  Cu  Cu12  1  0.926989  0.849889  0.307888  1
  Cu  Cu13  1  0.057765  0.112015  0.373650  1
  Cu  Cu14  1  0.741068  0.478273  0.339760  1
  Cu  Cu15  1  0.899692  0.795705  0.357221  1
  Cu  Cu16  1  0.742446  0.981062  0.340679  1
  Cu  Cu17  1  0.899428  0.295194  0.356524  1
  Cu  Cu18  1  0.584030  0.663999  0.323975  1
  Cu  Cu19  1  0.242446  0.981062  0.340679  1
  Cu  Cu20  1  0.399428  0.295194  0.356524  1
  Cu  Cu21  1  0.084030  0.663999  0.323975  1
  Cu  Cu22  1  0.557765  0.112015  0.373650  1
  Cu  Cu23  1  0.241068  0.478273  0.339760  1
  Cu  Cu24  1  0.399692  0.795705  0.357221  1
  Cu  Cu25  1  0.530540  0.058071  0.423830  1
  Cu  Cu26  1  0.214590  0.425845  0.390092  1
  Cu  Cu27  1  0.372461  0.741770  0.407034  1
  Cu  Cu28  1  0.215241  0.927145  0.390524  1
  Cu  Cu29  1  0.372765  0.242345  0.407004  1
  Cu  Cu30  1  0.056705  0.609923  0.373518  1
  Cu  Cu31  1  0.715241  0.927145  0.390524  1
  Cu  Cu32  1  0.872765  0.242345  0.407004  1
  Cu  Cu33  1  0.556705  0.609923  0.373518  1
  Cu  Cu34  1  0.030540  0.058071  0.423830  1
  Cu  Cu35  1  0.714590  0.425845  0.390092  1
  Cu  Cu36  1  0.872461  0.741770  0.407034  1
  Cu  Cu37  1  0.003413  0.004328  0.473900  1
  Cu  Cu38  1  0.688021  0.373195  0.440414  1
  Cu  Cu39  1  0.845611  0.688559  0.457123  1
  Cu  Cu40  1  0.688000  0.873173  0.440483  1
  Cu  Cu41  1  0.845808  0.188938  0.457199  1
  Cu  Cu42  1  0.530091  0.557184  0.423635  1
  Cu  Cu43  1  0.188000  0.873173  0.440483  1
  Cu  Cu44  1  0.345808  0.188938  0.457199  1
  Cu  Cu45  1  0.030091  0.557184  0.423635  1
  Cu  Cu46  1  0.503413  0.004328  0.473900  1
  Cu  Cu47  1  0.188021  0.373195  0.440414  1
  Cu  Cu48  1  0.345611  0.688559  0.457123  1
  Cu  Cu49  1  0.476508  0.951016  0.524041  1
  Cu  Cu50  1  0.161134  0.319925  0.490586  1
  Cu  Cu51  1  0.318832  0.635487  0.507299  1
  Cu  Cu52  1  0.161078  0.819824  0.490591  1
  Cu  Cu53  1  0.318776  0.135386  0.507304  1
  Cu  Cu54  1  0.003403  0.504295  0.473849  1
  Cu  Cu55  1  0.661078  0.819824  0.490591  1
  Cu  Cu56  1  0.818776  0.135386  0.507304  1
  Cu  Cu57  1  0.503403  0.504295  0.473849  1
  Cu  Cu58  1  0.976508  0.951016  0.524041  1
  Cu  Cu59  1  0.661134  0.319925  0.490586  1
  Cu  Cu60  1  0.818832  0.635487  0.507299  1
  Cu  Cu61  1  0.949820  0.898127  0.574255  1
  Cu  Cu62  1  0.634103  0.266372  0.540691  1
  Cu  Cu63  1  0.791911  0.582137  0.557408  1
  Cu  Cu64  1  0.634299  0.766752  0.540767  1
  Cu  Cu65  1  0.791890  0.082116  0.557476  1
  Cu  Cu66  1  0.476498  0.450983  0.523990  1
  Cu  Cu67  1  0.134299  0.766752  0.540767  1
  Cu  Cu68  1  0.291890  0.082116  0.557476  1
  Cu  Cu69  1  0.976498  0.450983  0.523990  1
  Cu  Cu70  1  0.449820  0.898127  0.574255  1
  Cu  Cu71  1  0.134103  0.266372  0.540691  1
  Cu  Cu72  1  0.291911  0.582137  0.557408  1
  Cu  Cu73  1  0.423205  0.845388  0.624373  1
  Cu  Cu74  1  0.107146  0.212966  0.590886  1
  Cu  Cu75  1  0.264670  0.528165  0.607366  1
  Cu  Cu76  1  0.107449  0.713540  0.590856  1
  Cu  Cu77  1  0.265321  0.029465  0.607798  1
  Cu  Cu78  1  0.949371  0.397240  0.574060  1
  Cu  Cu79  1  0.607449  0.713540  0.590856  1
  Cu  Cu80  1  0.765321  0.029465  0.607798  1
  Cu  Cu81  1  0.449371  0.397240  0.574060  1
  Cu  Cu82  1  0.923205  0.845388  0.624373  1
  Cu  Cu83  1  0.607146  0.212966  0.590886  1
  Cu  Cu84  1  0.764670  0.528165  0.607366  1
  Cu  Cu85  1  0.895881  0.791312  0.673915  1
  Cu  Cu86  1  0.580482  0.160117  0.641367  1
  Cu  Cu87  1  0.737465  0.474249  0.657211  1
  Cu  Cu88  1  0.580218  0.659606  0.640669  1
  Cu  Cu89  1  0.738842  0.977038  0.658130  1
  Cu  Cu90  1  0.422146  0.343296  0.624240  1
  Cu  Cu91  1  0.080218  0.659606  0.640669  1
  Cu  Cu92  1  0.238842  0.977038  0.658130  1
  Cu  Cu93  1  0.922146  0.343296  0.624240  1
  Cu  Cu94  1  0.395881  0.791312  0.673915  1
  Cu  Cu95  1  0.080482  0.160117  0.641367  1
  Cu  Cu96  1  0.237465  0.474249  0.657211  1
  Cu  Cu97  1  0.366853  0.733544  0.722298  1
  Cu  Cu98  1  0.054153  0.108198  0.691474  1
  Cu  Cu99  1  0.212511  0.424420  0.706611  1
  Cu  Cu100  1  0.052921  0.605421  0.690002  1
  Cu  Cu101  1  0.210037  0.920205  0.707173  1
  Cu  Cu102  1  0.895888  0.291225  0.674499  1
  Cu  Cu103  1  0.552921  0.605421  0.690002  1
  Cu  Cu104  1  0.710037  0.920205  0.707173  1
  Cu  Cu105  1  0.395888  0.291225  0.674499  1
  Cu  Cu106  1  0.866853  0.733544  0.722298  1
  Cu  Cu107  1  0.554153  0.108198  0.691474  1
  Cu  Cu108  1  0.712511  0.424420  0.706611  1
