# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.12513867
_cell_length_b   9.82588394
_cell_length_c   46.08911296
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.28178419
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu168
_cell_volume   4576.57643784
_cell_formula_units_Z   168
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  0.157128  0.293057  0.311060  1
  Cu  Cu2  1  0.545301  0.311583  0.301006  1
  Cu  Cu3  1  0.933805  0.331088  0.291645  1
  Cu  Cu4  1  0.157128  0.793057  0.311060  1
  Cu  Cu5  1  0.545301  0.811583  0.301006  1
  Cu  Cu6  1  0.933805  0.831088  0.291645  1
  Cu  Cu7  1  0.368035  0.076501  0.293881  1
  Cu  Cu8  1  0.755992  0.094545  0.284019  1
  Cu  Cu9  1  0.980060  0.059169  0.302892  1
  Cu  Cu10  1  0.368035  0.576501  0.293881  1
  Cu  Cu11  1  0.755992  0.594545  0.284019  1
  Cu  Cu12  1  0.980060  0.559169  0.302892  1
  Cu  Cu13  1  0.994595  0.235495  0.342143  1
  Cu  Cu14  1  0.380581  0.257855  0.330981  1
  Cu  Cu15  1  0.768947  0.276505  0.320881  1
  Cu  Cu16  1  0.994595  0.735495  0.342143  1
  Cu  Cu17  1  0.380581  0.757855  0.330981  1
  Cu  Cu18  1  0.768947  0.776505  0.320881  1
  Cu  Cu19  1  0.203874  0.022142  0.322542  1
  Cu  Cu20  1  0.592431  0.039744  0.312807  1
  Cu  Cu21  1  0.818020  0.002310  0.333780  1
  Cu  Cu22  1  0.203874  0.522142  0.322542  1
  Cu  Cu23  1  0.592431  0.539744  0.312807  1
  Cu  Cu24  1  0.818020  0.502310  0.333780  1
  Cu  Cu25  1  0.831884  0.177891  0.373166  1
  Cu  Cu26  1  0.219947  0.196534  0.362333  1
  Cu  Cu27  1  0.606750  0.216411  0.351962  1
  Cu  Cu28  1  0.831884  0.677891  0.373166  1
  Cu  Cu29  1  0.219947  0.696534  0.362333  1
  Cu  Cu30  1  0.606750  0.716411  0.351962  1
  Cu  Cu31  1  0.043686  0.962514  0.353852  1
  Cu  Cu32  1  0.430486  0.983068  0.343762  1
  Cu  Cu33  1  0.655502  0.943526  0.364496  1
  Cu  Cu34  1  0.043686  0.462514  0.353852  1
  Cu  Cu35  1  0.430486  0.483068  0.343762  1
  Cu  Cu36  1  0.655502  0.443526  0.364496  1
  Cu  Cu37  1  0.668810  0.119709  0.404435  1
  Cu  Cu38  1  0.056878  0.138524  0.394078  1
  Cu  Cu39  1  0.443891  0.158909  0.383399  1
  Cu  Cu40  1  0.668810  0.619709  0.404435  1
  Cu  Cu41  1  0.056878  0.638524  0.394078  1
  Cu  Cu42  1  0.443891  0.658909  0.383399  1
  Cu  Cu43  1  0.880702  0.905194  0.385485  1
  Cu  Cu44  1  0.267793  0.924662  0.374605  1
  Cu  Cu45  1  0.493018  0.885881  0.395684  1
  Cu  Cu46  1  0.880702  0.405194  0.385485  1
  Cu  Cu47  1  0.267793  0.424662  0.374605  1
  Cu  Cu48  1  0.493018  0.385881  0.395684  1
  Cu  Cu49  1  0.506153  0.061266  0.435865  1
  Cu  Cu50  1  0.893941  0.080554  0.425529  1
  Cu  Cu51  1  0.281490  0.099960  0.414861  1
  Cu  Cu52  1  0.506153  0.561266  0.435865  1
  Cu  Cu53  1  0.893941  0.580554  0.425529  1
  Cu  Cu54  1  0.281490  0.599960  0.414861  1
  Cu  Cu55  1  0.718072  0.846932  0.416735  1
  Cu  Cu56  1  0.105914  0.866050  0.406086  1
  Cu  Cu57  1  0.330584  0.827589  0.427028  1
  Cu  Cu58  1  0.718072  0.346932  0.416735  1
  Cu  Cu59  1  0.105914  0.366050  0.406086  1
  Cu  Cu60  1  0.330584  0.327589  0.427028  1
  Cu  Cu61  1  0.343607  0.002757  0.467306  1
  Cu  Cu62  1  0.731109  0.022321  0.456854  1
  Cu  Cu63  1  0.118882  0.041487  0.446387  1
  Cu  Cu64  1  0.343607  0.502757  0.467306  1
  Cu  Cu65  1  0.731109  0.522321  0.456854  1
  Cu  Cu66  1  0.118882  0.541487  0.446387  1
  Cu  Cu67  1  0.555419  0.788688  0.448014  1
  Cu  Cu68  1  0.943199  0.807941  0.437607  1
  Cu  Cu69  1  0.168059  0.769080  0.458454  1
  Cu  Cu70  1  0.555419  0.288688  0.448014  1
  Cu  Cu71  1  0.943199  0.307941  0.437607  1
  Cu  Cu72  1  0.168059  0.269080  0.458454  1
  Cu  Cu73  1  0.180988  0.944332  0.498737  1
  Cu  Cu74  1  0.568399  0.963929  0.488266  1
  Cu  Cu75  1  0.956101  0.983256  0.477821  1
  Cu  Cu76  1  0.180988  0.444332  0.498737  1
  Cu  Cu77  1  0.568399  0.463929  0.488266  1
  Cu  Cu78  1  0.956101  0.483256  0.477821  1
  Cu  Cu79  1  0.392812  0.730321  0.479412  1
  Cu  Cu80  1  0.780336  0.749776  0.468997  1
  Cu  Cu81  1  0.005315  0.710757  0.489895  1
  Cu  Cu82  1  0.392812  0.230321  0.479412  1
  Cu  Cu83  1  0.780336  0.249776  0.468997  1
  Cu  Cu84  1  0.005315  0.210757  0.489895  1
  Cu  Cu85  1  0.018240  0.886038  0.530110  1
  Cu  Cu86  1  0.405764  0.905493  0.519695  1
  Cu  Cu87  1  0.793262  0.925057  0.509213  1
  Cu  Cu88  1  0.018240  0.386038  0.530110  1
  Cu  Cu89  1  0.405764  0.405493  0.519695  1
  Cu  Cu90  1  0.793262  0.425057  0.509213  1
  Cu  Cu91  1  0.230178  0.671885  0.510841  1
  Cu  Cu92  1  0.617588  0.691483  0.500370  1
  Cu  Cu93  1  0.842475  0.652558  0.521286  1
  Cu  Cu94  1  0.230178  0.171885  0.510841  1
  Cu  Cu95  1  0.617588  0.191483  0.500370  1
  Cu  Cu96  1  0.842475  0.152558  0.521286  1
  Cu  Cu97  1  0.855377  0.827874  0.561501  1
  Cu  Cu98  1  0.243157  0.847126  0.551093  1
  Cu  Cu99  1  0.630517  0.866734  0.540653  1
  Cu  Cu100  1  0.855377  0.327874  0.561501  1
  Cu  Cu101  1  0.243157  0.347126  0.551093  1
  Cu  Cu102  1  0.630517  0.366734  0.540653  1
  Cu  Cu103  1  0.067467  0.613493  0.542253  1
  Cu  Cu104  1  0.454969  0.633058  0.531801  1
  Cu  Cu105  1  0.679694  0.594327  0.552720  1
  Cu  Cu106  1  0.067467  0.113493  0.542253  1
  Cu  Cu107  1  0.454969  0.133058  0.531801  1
  Cu  Cu108  1  0.679694  0.094327  0.552720  1
  Cu  Cu109  1  0.692662  0.769764  0.593022  1
  Cu  Cu110  1  0.080504  0.788882  0.582372  1
  Cu  Cu111  1  0.467993  0.808225  0.572079  1
  Cu  Cu112  1  0.692662  0.269764  0.593022  1
  Cu  Cu113  1  0.080504  0.288882  0.582372  1
  Cu  Cu114  1  0.467993  0.308225  0.572079  1
  Cu  Cu115  1  0.904635  0.555260  0.573578  1
  Cu  Cu116  1  0.292423  0.574548  0.563242  1
  Cu  Cu117  1  0.517086  0.535854  0.584246  1
  Cu  Cu118  1  0.904635  0.055260  0.573578  1
  Cu  Cu119  1  0.292423  0.074548  0.563242  1
  Cu  Cu120  1  0.517086  0.035854  0.584246  1
  Cu  Cu121  1  0.530783  0.711153  0.624503  1
  Cu  Cu122  1  0.917874  0.730620  0.613622  1
  Cu  Cu123  1  0.305558  0.749933  0.603424  1
  Cu  Cu124  1  0.530783  0.211153  0.624503  1
  Cu  Cu125  1  0.917874  0.230620  0.613622  1
  Cu  Cu126  1  0.305558  0.249933  0.603424  1
  Cu  Cu127  1  0.741698  0.497290  0.605029  1
  Cu  Cu128  1  0.129766  0.516105  0.594672  1
  Cu  Cu129  1  0.354685  0.476905  0.615708  1
  Cu  Cu130  1  0.741698  0.997290  0.605029  1
  Cu  Cu131  1  0.129766  0.016105  0.594672  1
  Cu  Cu132  1  0.354685  0.976905  0.615708  1
  Cu  Cu133  1  0.368090  0.652746  0.655345  1
  Cu  Cu134  1  0.754890  0.673301  0.645255  1
  Cu  Cu135  1  0.143074  0.692289  0.634611  1
  Cu  Cu136  1  0.368090  0.152746  0.655345  1
  Cu  Cu137  1  0.754890  0.173301  0.645255  1
  Cu  Cu138  1  0.143074  0.192289  0.634611  1
  Cu  Cu139  1  0.578629  0.439281  0.636774  1
  Cu  Cu140  1  0.966692  0.457924  0.625941  1
  Cu  Cu141  1  0.191826  0.419403  0.647146  1
  Cu  Cu142  1  0.578629  0.939281  0.636774  1
  Cu  Cu143  1  0.966692  0.957924  0.625941  1
  Cu  Cu144  1  0.191826  0.919403  0.647146  1
  Cu  Cu145  1  0.206145  0.596070  0.686300  1
  Cu  Cu146  1  0.594702  0.613673  0.676565  1
  Cu  Cu147  1  0.980556  0.633504  0.665327  1
  Cu  Cu148  1  0.206145  0.096070  0.686300  1
  Cu  Cu149  1  0.594702  0.113673  0.676565  1
  Cu  Cu150  1  0.980556  0.133504  0.665327  1
  Cu  Cu151  1  0.417995  0.377959  0.668127  1
  Cu  Cu152  1  0.803981  0.400319  0.656964  1
  Cu  Cu153  1  0.029629  0.359310  0.678227  1
  Cu  Cu154  1  0.417995  0.877959  0.668127  1
  Cu  Cu155  1  0.803981  0.900319  0.656964  1
  Cu  Cu156  1  0.029629  0.859310  0.678227  1
  Cu  Cu157  1  0.042584  0.541269  0.715088  1
  Cu  Cu158  1  0.430542  0.559314  0.705226  1
  Cu  Cu159  1  0.818516  0.576645  0.696215  1
  Cu  Cu160  1  0.042584  0.041269  0.715088  1
  Cu  Cu161  1  0.430542  0.059314  0.705226  1
  Cu  Cu162  1  0.818516  0.076645  0.696215  1
  Cu  Cu163  1  0.253275  0.324231  0.698101  1
  Cu  Cu164  1  0.641448  0.342757  0.688047  1
  Cu  Cu165  1  0.864771  0.304727  0.707462  1
  Cu  Cu166  1  0.253275  0.824231  0.698101  1
  Cu  Cu167  1  0.641448  0.842757  0.688047  1
  Cu  Cu168  1  0.864771  0.804727  0.707462  1
