# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.70793555
_cell_length_b   8.78820725
_cell_length_c   48.14690236
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.13233062
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu108
_cell_volume   2834.05451386
_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  0.401855  0.012774  0.300356  1
  Cu  Cu2  1  0.754203  0.984320  0.316574  1
  Cu  Cu3  1  0.046608  0.033194  0.285241  1
  Cu  Cu4  1  0.602190  0.788918  0.283328  1
  Cu  Cu5  1  0.960359  0.760878  0.298644  1
  Cu  Cu6  1  0.312337  0.740212  0.315201  1
  Cu  Cu7  1  0.366461  0.552146  0.277383  1
  Cu  Cu8  1  0.718611  0.522605  0.292400  1
  Cu  Cu9  1  0.076439  0.495520  0.308694  1
  Cu  Cu10  1  0.481620  0.288334  0.286468  1
  Cu  Cu11  1  0.838042  0.255229  0.301619  1
  Cu  Cu12  1  0.194341  0.232614  0.318169  1
  Cu  Cu13  1  0.466216  0.931316  0.350123  1
  Cu  Cu14  1  0.820260  0.903355  0.366911  1
  Cu  Cu15  1  0.109535  0.957670  0.333868  1
  Cu  Cu16  1  0.667412  0.709831  0.331797  1
  Cu  Cu17  1  0.021686  0.682343  0.348529  1
  Cu  Cu18  1  0.376031  0.657467  0.365481  1
  Cu  Cu19  1  0.432645  0.472664  0.325833  1
  Cu  Cu20  1  0.788299  0.442917  0.341684  1
  Cu  Cu21  1  0.142310  0.416950  0.358738  1
  Cu  Cu22  1  0.551668  0.206195  0.335370  1
  Cu  Cu23  1  0.908297  0.177674  0.351475  1
  Cu  Cu24  1  0.264056  0.151754  0.368480  1
  Cu  Cu25  1  0.531071  0.850552  0.400358  1
  Cu  Cu26  1  0.885987  0.823464  0.417027  1
  Cu  Cu27  1  0.175827  0.877088  0.383669  1
  Cu  Cu28  1  0.731214  0.629273  0.381989  1
  Cu  Cu29  1  0.086050  0.602824  0.398807  1
  Cu  Cu30  1  0.441271  0.576314  0.415545  1
  Cu  Cu31  1  0.497968  0.390801  0.375548  1
  Cu  Cu32  1  0.853083  0.363381  0.391966  1
  Cu  Cu33  1  0.208191  0.336947  0.408797  1
  Cu  Cu34  1  0.620061  0.124613  0.385205  1
  Cu  Cu35  1  0.975235  0.097784  0.401789  1
  Cu  Cu36  1  0.330633  0.071247  0.418576  1
  Cu  Cu37  1  0.596479  0.770107  0.450452  1
  Cu  Cu38  1  0.951591  0.743292  0.467123  1
  Cu  Cu39  1  0.241254  0.796895  0.433741  1
  Cu  Cu40  1  0.796362  0.549200  0.432172  1
  Cu  Cu41  1  0.151522  0.522565  0.448926  1
  Cu  Cu42  1  0.506760  0.495786  0.465622  1
  Cu  Cu43  1  0.563590  0.310168  0.425470  1
  Cu  Cu44  1  0.918745  0.283343  0.442099  1
  Cu  Cu45  1  0.273966  0.256659  0.458838  1
  Cu  Cu46  1  0.686034  0.044374  0.435281  1
  Cu  Cu47  1  0.041191  0.017613  0.451946  1
  Cu  Cu48  1  0.396448  0.990889  0.468669  1
  Cu  Cu49  1  0.662023  0.689795  0.500532  1
  Cu  Cu50  1  0.017165  0.663019  0.517210  1
  Cu  Cu51  1  0.306817  0.716581  0.483829  1
  Cu  Cu52  1  0.861929  0.468963  0.482296  1
  Cu  Cu53  1  0.217160  0.442220  0.499016  1
  Cu  Cu54  1  0.572390  0.415451  0.515711  1
  Cu  Cu55  1  0.629224  0.229881  0.475523  1
  Cu  Cu56  1  0.984418  0.203101  0.492197  1
  Cu  Cu57  1  0.339654  0.176352  0.508913  1
  Cu  Cu58  1  0.751691  0.964089  0.485375  1
  Cu  Cu59  1  0.106862  0.937314  0.502057  1
  Cu  Cu60  1  0.462071  0.910591  0.518769  1
  Cu  Cu61  1  0.727565  0.609483  0.550618  1
  Cu  Cu62  1  0.082680  0.582746  0.567277  1
  Cu  Cu63  1  0.372398  0.636304  0.533906  1
  Cu  Cu64  1  0.927608  0.388650  0.532387  1
  Cu  Cu65  1  0.282916  0.361886  0.549105  1
  Cu  Cu66  1  0.638185  0.335154  0.565804  1
  Cu  Cu67  1  0.694872  0.149576  0.525610  1
  Cu  Cu68  1  0.050111  0.122777  0.542288  1
  Cu  Cu69  1  0.405373  0.096045  0.559023  1
  Cu  Cu70  1  0.817259  0.883762  0.535476  1
  Cu  Cu71  1  0.172408  0.856992  0.552160  1
  Cu  Cu72  1  0.527533  0.830368  0.568876  1
  Cu  Cu73  1  0.793015  0.529100  0.600745  1
  Cu  Cu74  1  0.148034  0.502818  0.617291  1
  Cu  Cu75  1  0.437922  0.556095  0.583958  1
  Cu  Cu76  1  0.993523  0.308335  0.582452  1
  Cu  Cu77  1  0.349071  0.281573  0.599217  1
  Cu  Cu78  1  0.704451  0.254769  0.615878  1
  Cu  Cu79  1  0.760565  0.069201  0.575711  1
  Cu  Cu80  1  0.115944  0.042406  0.592385  1
  Cu  Cu81  1  0.471089  0.015709  0.609207  1
  Cu  Cu82  1  0.882706  0.803214  0.585582  1
  Cu  Cu83  1  0.237584  0.776897  0.602296  1
  Cu  Cu84  1  0.592469  0.750146  0.618940  1
  Cu  Cu85  1  0.858629  0.448490  0.650979  1
  Cu  Cu86  1  0.214434  0.422577  0.667032  1
  Cu  Cu87  1  0.503301  0.475662  0.633984  1
  Cu  Cu88  1  0.060498  0.228005  0.632453  1
  Cu  Cu89  1  0.416334  0.201000  0.649477  1
  Cu  Cu90  1  0.773407  0.172538  0.665640  1
  Cu  Cu91  1  0.826533  0.988218  0.625762  1
  Cu  Cu92  1  0.181567  0.962428  0.642665  1
  Cu  Cu93  1  0.536960  0.935230  0.659546  1
  Cu  Cu94  1  0.948008  0.722673  0.635806  1
  Cu  Cu95  1  0.301121  0.697744  0.652556  1
  Cu  Cu96  1  0.655999  0.667885  0.668640  1
  Cu  Cu97  1  0.923887  0.369406  0.700762  1
  Cu  Cu98  1  0.279198  0.346027  0.715714  1
  Cu  Cu99  1  0.570512  0.392455  0.684206  1
  Cu  Cu100  1  0.130511  0.149290  0.682600  1
  Cu  Cu101  1  0.485394  0.121554  0.699370  1
  Cu  Cu102  1  0.840041  0.094036  0.714076  1
  Cu  Cu103  1  0.892986  0.906181  0.676000  1
  Cu  Cu104  1  0.247741  0.883332  0.692527  1
  Cu  Cu105  1  0.607604  0.854614  0.708363  1
  Cu  Cu106  1  0.011605  0.641393  0.686211  1
  Cu  Cu107  1  0.367804  0.616421  0.701741  1
  Cu  Cu108  1  0.718786  0.586457  0.717058  1
