# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.05704565
_cell_length_b   9.71013917
_cell_length_c   45.97691183
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.15359470
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu168
_cell_volume   4479.41247861
_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  0.239313  0.067764  0.294803  1
  Cu  Cu2  1  0.628952  0.088390  0.285612  1
  Cu  Cu3  1  0.854089  0.046906  0.304038  1
  Cu  Cu4  1  0.239313  0.567764  0.294803  1
  Cu  Cu5  1  0.628952  0.588390  0.285612  1
  Cu  Cu6  1  0.854089  0.546906  0.304038  1
  Cu  Cu7  1  0.294013  0.293513  0.305598  1
  Cu  Cu8  1  0.677203  0.315345  0.296042  1
  Cu  Cu9  1  0.067100  0.334690  0.287111  1
  Cu  Cu10  1  0.294013  0.793513  0.305598  1
  Cu  Cu11  1  0.677203  0.815345  0.296042  1
  Cu  Cu12  1  0.067100  0.834690  0.287111  1
  Cu  Cu13  1  0.078655  0.010639  0.324902  1
  Cu  Cu14  1  0.464862  0.025928  0.314295  1
  Cu  Cu15  1  0.691769  0.988004  0.335689  1
  Cu  Cu16  1  0.078655  0.510639  0.324902  1
  Cu  Cu17  1  0.464862  0.525928  0.314295  1
  Cu  Cu18  1  0.691769  0.488004  0.335689  1
  Cu  Cu19  1  0.129242  0.236829  0.337357  1
  Cu  Cu20  1  0.515025  0.255776  0.326779  1
  Cu  Cu21  1  0.903314  0.274259  0.315408  1
  Cu  Cu22  1  0.129242  0.736829  0.337357  1
  Cu  Cu23  1  0.515025  0.755776  0.326779  1
  Cu  Cu24  1  0.903314  0.774259  0.315408  1
  Cu  Cu25  1  0.916835  0.948936  0.355661  1
  Cu  Cu26  1  0.303220  0.968875  0.345959  1
  Cu  Cu27  1  0.529009  0.929820  0.366402  1
  Cu  Cu28  1  0.916835  0.448936  0.355661  1
  Cu  Cu29  1  0.303220  0.468875  0.345959  1
  Cu  Cu30  1  0.529009  0.429820  0.366402  1
  Cu  Cu31  1  0.965143  0.177319  0.367861  1
  Cu  Cu32  1  0.353385  0.195716  0.357568  1
  Cu  Cu33  1  0.740924  0.215236  0.347052  1
  Cu  Cu34  1  0.965143  0.677319  0.367861  1
  Cu  Cu35  1  0.353385  0.695716  0.357568  1
  Cu  Cu36  1  0.740924  0.715236  0.347052  1
  Cu  Cu37  1  0.754143  0.890089  0.387376  1
  Cu  Cu38  1  0.141089  0.910962  0.376977  1
  Cu  Cu39  1  0.366512  0.870625  0.397840  1
  Cu  Cu40  1  0.754143  0.390089  0.387376  1
  Cu  Cu41  1  0.141089  0.410962  0.376977  1
  Cu  Cu42  1  0.366512  0.370625  0.397840  1
  Cu  Cu43  1  0.803354  0.117441  0.399272  1
  Cu  Cu44  1  0.190505  0.137773  0.389134  1
  Cu  Cu45  1  0.578031  0.157254  0.378582  1
  Cu  Cu46  1  0.803354  0.617441  0.399272  1
  Cu  Cu47  1  0.190505  0.637773  0.389134  1
  Cu  Cu48  1  0.578031  0.657254  0.378582  1
  Cu  Cu49  1  0.591569  0.831515  0.418694  1
  Cu  Cu50  1  0.978830  0.851345  0.408149  1
  Cu  Cu51  1  0.203833  0.812197  0.429183  1
  Cu  Cu52  1  0.591569  0.331515  0.418694  1
  Cu  Cu53  1  0.978830  0.351345  0.408149  1
  Cu  Cu54  1  0.203833  0.312197  0.429183  1
  Cu  Cu55  1  0.640748  0.058875  0.430765  1
  Cu  Cu56  1  0.027881  0.078843  0.420300  1
  Cu  Cu57  1  0.415666  0.098012  0.409876  1
  Cu  Cu58  1  0.640748  0.558875  0.430765  1
  Cu  Cu59  1  0.027881  0.578843  0.420300  1
  Cu  Cu60  1  0.415666  0.598012  0.409876  1
  Cu  Cu61  1  0.429000  0.772650  0.450054  1
  Cu  Cu62  1  0.816435  0.792227  0.439585  1
  Cu  Cu63  1  0.041368  0.753193  0.460474  1
  Cu  Cu64  1  0.429000  0.272650  0.450054  1
  Cu  Cu65  1  0.816435  0.292227  0.439585  1
  Cu  Cu66  1  0.041368  0.253193  0.460474  1
  Cu  Cu67  1  0.478207  0.999985  0.462125  1
  Cu  Cu68  1  0.865651  0.019619  0.451633  1
  Cu  Cu69  1  0.253130  0.039316  0.441262  1
  Cu  Cu70  1  0.478207  0.499985  0.462125  1
  Cu  Cu71  1  0.865651  0.519619  0.451633  1
  Cu  Cu72  1  0.253130  0.539316  0.441262  1
  Cu  Cu73  1  0.266416  0.713892  0.481405  1
  Cu  Cu74  1  0.653991  0.733394  0.470952  1
  Cu  Cu75  1  0.878955  0.694191  0.491851  1
  Cu  Cu76  1  0.266416  0.213892  0.481405  1
  Cu  Cu77  1  0.653991  0.233394  0.470952  1
  Cu  Cu78  1  0.878955  0.194191  0.491851  1
  Cu  Cu79  1  0.315660  0.941172  0.493481  1
  Cu  Cu80  1  0.703218  0.960718  0.483025  1
  Cu  Cu81  1  0.090570  0.980524  0.472576  1
  Cu  Cu82  1  0.315660  0.441172  0.493481  1
  Cu  Cu83  1  0.703218  0.460718  0.483025  1
  Cu  Cu84  1  0.090570  0.480524  0.472576  1
  Cu  Cu85  1  0.103908  0.655018  0.512751  1
  Cu  Cu86  1  0.491466  0.674565  0.502295  1
  Cu  Cu87  1  0.716556  0.635213  0.523200  1
  Cu  Cu88  1  0.103908  0.155018  0.512751  1
  Cu  Cu89  1  0.491466  0.174565  0.502295  1
  Cu  Cu90  1  0.716556  0.135213  0.523200  1
  Cu  Cu91  1  0.153135  0.882343  0.524824  1
  Cu  Cu92  1  0.540710  0.901845  0.514371  1
  Cu  Cu93  1  0.928171  0.921546  0.503925  1
  Cu  Cu94  1  0.153135  0.382343  0.524824  1
  Cu  Cu95  1  0.540710  0.401845  0.514371  1
  Cu  Cu96  1  0.928171  0.421546  0.503925  1
  Cu  Cu97  1  0.941475  0.596118  0.544143  1
  Cu  Cu98  1  0.328919  0.615752  0.533651  1
  Cu  Cu99  1  0.553996  0.576421  0.554514  1
  Cu  Cu100  1  0.941475  0.096118  0.544143  1
  Cu  Cu101  1  0.328919  0.115752  0.533651  1
  Cu  Cu102  1  0.553996  0.076421  0.554514  1
  Cu  Cu103  1  0.990691  0.823510  0.556191  1
  Cu  Cu104  1  0.378126  0.843087  0.545722  1
  Cu  Cu105  1  0.765758  0.862544  0.535302  1
  Cu  Cu106  1  0.990691  0.323510  0.556191  1
  Cu  Cu107  1  0.378126  0.343087  0.545722  1
  Cu  Cu108  1  0.765758  0.362544  0.535302  1
  Cu  Cu109  1  0.779245  0.536894  0.575476  1
  Cu  Cu110  1  0.166378  0.556862  0.565011  1
  Cu  Cu111  1  0.391459  0.517725  0.585900  1
  Cu  Cu112  1  0.779245  0.036894  0.575476  1
  Cu  Cu113  1  0.166378  0.056862  0.565011  1
  Cu  Cu114  1  0.391459  0.017725  0.585900  1
  Cu  Cu115  1  0.828296  0.764392  0.587627  1
  Cu  Cu116  1  0.215557  0.784222  0.577082  1
  Cu  Cu117  1  0.603293  0.803540  0.566593  1
  Cu  Cu118  1  0.828296  0.264392  0.587627  1
  Cu  Cu119  1  0.215557  0.284222  0.577082  1
  Cu  Cu120  1  0.603293  0.303540  0.566593  1
  Cu  Cu121  1  0.616620  0.477964  0.606642  1
  Cu  Cu122  1  0.003772  0.498296  0.596504  1
  Cu  Cu123  1  0.229095  0.458483  0.617194  1
  Cu  Cu124  1  0.616620  0.977964  0.606642  1
  Cu  Cu125  1  0.003772  0.998296  0.596504  1
  Cu  Cu126  1  0.229095  0.958483  0.617194  1
  Cu  Cu127  1  0.666037  0.704775  0.618799  1
  Cu  Cu128  1  0.052983  0.725648  0.608400  1
  Cu  Cu129  1  0.440614  0.745112  0.597936  1
  Cu  Cu130  1  0.666037  0.204775  0.618799  1
  Cu  Cu131  1  0.052983  0.225648  0.608400  1
  Cu  Cu132  1  0.440614  0.245112  0.597936  1
  Cu  Cu133  1  0.453741  0.420021  0.638208  1
  Cu  Cu134  1  0.841983  0.438418  0.627915  1
  Cu  Cu135  1  0.066202  0.400501  0.648724  1
  Cu  Cu136  1  0.453741  0.920021  0.638208  1
  Cu  Cu137  1  0.841983  0.938418  0.627915  1
  Cu  Cu138  1  0.066202  0.900501  0.648724  1
  Cu  Cu139  1  0.503906  0.646862  0.649817  1
  Cu  Cu140  1  0.890291  0.666801  0.640115  1
  Cu  Cu141  1  0.278116  0.685917  0.629374  1
  Cu  Cu142  1  0.503906  0.146862  0.649817  1
  Cu  Cu143  1  0.890291  0.166801  0.640115  1
  Cu  Cu144  1  0.278116  0.185917  0.629374  1
  Cu  Cu145  1  0.292101  0.359961  0.668997  1
  Cu  Cu146  1  0.677884  0.378908  0.658419  1
  Cu  Cu147  1  0.903812  0.341478  0.680368  1
  Cu  Cu148  1  0.292101  0.859961  0.668997  1
  Cu  Cu149  1  0.677884  0.878908  0.658419  1
  Cu  Cu150  1  0.903812  0.841478  0.680368  1
  Cu  Cu151  1  0.342264  0.589809  0.681481  1
  Cu  Cu152  1  0.728471  0.605098  0.670874  1
  Cu  Cu153  1  0.115357  0.627733  0.660087  1
  Cu  Cu154  1  0.342264  0.089809  0.681481  1
  Cu  Cu155  1  0.728471  0.105098  0.670874  1
  Cu  Cu156  1  0.115357  0.127733  0.660087  1
  Cu  Cu157  1  0.129923  0.300392  0.699734  1
  Cu  Cu158  1  0.513113  0.322224  0.690178  1
  Cu  Cu159  1  0.740026  0.281047  0.708665  1
  Cu  Cu160  1  0.129923  0.800392  0.699734  1
  Cu  Cu161  1  0.513113  0.822224  0.690178  1
  Cu  Cu162  1  0.740026  0.781047  0.708665  1
  Cu  Cu163  1  0.178174  0.527347  0.710163  1
  Cu  Cu164  1  0.567813  0.547973  0.700973  1
  Cu  Cu165  1  0.953037  0.568831  0.691738  1
  Cu  Cu166  1  0.178174  0.027347  0.710163  1
  Cu  Cu167  1  0.567813  0.047973  0.700973  1
  Cu  Cu168  1  0.953037  0.068831  0.691738  1
