# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04252017
_cell_length_b   8.04264957
_cell_length_c   47.28246816
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu112
_cell_volume   2996.58816783
_cell_formula_units_Z   112
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  0.621298  0.869194  0.331167  1
  Cu  Cu2  1  0.119856  0.369984  0.331887  1
  Cu  Cu3  1  0.203918  0.954260  0.300290  1
  Cu  Cu4  1  0.705252  0.457291  0.300478  1
  Cu  Cu5  1  0.868707  0.621785  0.331167  1
  Cu  Cu6  1  0.369498  0.120341  0.331887  1
  Cu  Cu7  1  0.456808  0.705737  0.300478  1
  Cu  Cu8  1  0.953775  0.204403  0.300290  1
  Cu  Cu9  1  0.577440  0.577927  0.346838  1
  Cu  Cu10  1  0.245655  0.246135  0.286227  1
  Cu  Cu11  1  0.164877  0.661881  0.315273  1
  Cu  Cu12  1  0.661394  0.165364  0.315273  1
  Cu  Cu13  1  0.909156  0.909644  0.314273  1
  Cu  Cu14  1  0.412085  0.412573  0.315047  1
  Cu  Cu15  1  0.494373  0.998792  0.286601  1
  Cu  Cu16  1  0.998311  0.494853  0.286601  1
  Cu  Cu17  1  0.452298  0.702816  0.393624  1
  Cu  Cu18  1  0.952115  0.202723  0.393386  1
  Cu  Cu19  1  0.036102  0.786986  0.361675  1
  Cu  Cu20  1  0.536365  0.286939  0.362099  1
  Cu  Cu21  1  0.702325  0.452789  0.393624  1
  Cu  Cu22  1  0.202232  0.952606  0.393386  1
  Cu  Cu23  1  0.286449  0.536855  0.362099  1
  Cu  Cu24  1  0.786496  0.036592  0.361676  1
  Cu  Cu25  1  0.410360  0.410853  0.409226  1
  Cu  Cu26  1  0.076853  0.077340  0.346274  1
  Cu  Cu27  1  0.993771  0.495862  0.378018  1
  Cu  Cu28  1  0.495372  0.994261  0.378018  1
  Cu  Cu29  1  0.744400  0.744890  0.377998  1
  Cu  Cu30  1  0.244066  0.244555  0.378209  1
  Cu  Cu31  1  0.328913  0.828619  0.346572  1
  Cu  Cu32  1  0.828131  0.329401  0.346572  1
  Cu  Cu33  1  0.284151  0.534884  0.456259  1
  Cu  Cu34  1  0.784409  0.034666  0.456220  1
  Cu  Cu35  1  0.868201  0.619003  0.425011  1
  Cu  Cu36  1  0.368508  0.118542  0.424969  1
  Cu  Cu37  1  0.534389  0.284647  0.456259  1
  Cu  Cu38  1  0.034171  0.784905  0.456220  1
  Cu  Cu39  1  0.118049  0.369001  0.424969  1
  Cu  Cu40  1  0.618510  0.868694  0.425011  1
  Cu  Cu41  1  0.242231  0.242727  0.471939  1
  Cu  Cu42  1  0.910348  0.910840  0.408994  1
  Cu  Cu43  1  0.826301  0.326663  0.440570  1
  Cu  Cu44  1  0.326168  0.826796  0.440570  1
  Cu  Cu45  1  0.576263  0.576757  0.440651  1
  Cu  Cu46  1  0.076230  0.076724  0.440472  1
  Cu  Cu47  1  0.160105  0.661136  0.409107  1
  Cu  Cu48  1  0.660643  0.160598  0.409107  1
  Cu  Cu49  1  0.116137  0.366736  0.518965  1
  Cu  Cu50  1  0.616234  0.866644  0.519045  1
  Cu  Cu51  1  0.700241  0.450656  0.487665  1
  Cu  Cu52  1  0.200151  0.950739  0.487591  1
  Cu  Cu53  1  0.366237  0.116636  0.518965  1
  Cu  Cu54  1  0.866144  0.616734  0.519045  1
  Cu  Cu55  1  0.950242  0.200648  0.487591  1
  Cu  Cu56  1  0.450158  0.700739  0.487665  1
  Cu  Cu57  1  0.074114  0.074614  0.534640  1
  Cu  Cu58  1  0.742259  0.742755  0.472029  1
  Cu  Cu59  1  0.658341  0.158591  0.503332  1
  Cu  Cu60  1  0.158093  0.658840  0.503332  1
  Cu  Cu61  1  0.408210  0.408709  0.503329  1
  Cu  Cu62  1  0.908204  0.908703  0.503333  1
  Cu  Cu63  1  0.992164  0.492831  0.471989  1
  Cu  Cu64  1  0.492334  0.992661  0.471989  1
  Cu  Cu65  1  0.948318  0.198205  0.581746  1
  Cu  Cu66  1  0.447862  0.698816  0.581775  1
  Cu  Cu67  1  0.532302  0.282532  0.550394  1
  Cu  Cu68  1  0.032010  0.782781  0.550450  1
  Cu  Cu69  1  0.197701  0.948822  0.581746  1
  Cu  Cu70  1  0.698312  0.448366  0.581775  1
  Cu  Cu71  1  0.782279  0.032512  0.550450  1
  Cu  Cu72  1  0.282030  0.532804  0.550394  1
  Cu  Cu73  1  0.906165  0.906670  0.597689  1
  Cu  Cu74  1  0.574155  0.574656  0.534735  1
  Cu  Cu75  1  0.490180  0.990573  0.566019  1
  Cu  Cu76  1  0.990070  0.490683  0.566019  1
  Cu  Cu77  1  0.240123  0.240626  0.565906  1
  Cu  Cu78  1  0.740166  0.740669  0.566114  1
  Cu  Cu79  1  0.824242  0.324534  0.534693  1
  Cu  Cu80  1  0.324033  0.824743  0.534693  1
  Cu  Cu81  1  0.780339  0.030966  0.644901  1
  Cu  Cu82  1  0.279986  0.530851  0.644441  1
  Cu  Cu83  1  0.363900  0.114661  0.612845  1
  Cu  Cu84  1  0.864157  0.614612  0.613101  1
  Cu  Cu85  1  0.030457  0.780847  0.644901  1
  Cu  Cu86  1  0.530343  0.280494  0.644441  1
  Cu  Cu87  1  0.614105  0.864663  0.613101  1
  Cu  Cu88  1  0.114154  0.364407  0.612845  1
  Cu  Cu89  1  0.737922  0.738432  0.659921  1
  Cu  Cu90  1  0.406082  0.406587  0.597396  1
  Cu  Cu91  1  0.320966  0.823869  0.628797  1
  Cu  Cu92  1  0.823362  0.321474  0.628797  1
  Cu  Cu93  1  0.071709  0.072216  0.629104  1
  Cu  Cu94  1  0.571905  0.572411  0.628717  1
  Cu  Cu95  1  0.656402  0.156344  0.597536  1
  Cu  Cu96  1  0.155839  0.656907  0.597536  1
  Cu  Cu97  1  0.610174  0.862775  0.705628  1
  Cu  Cu98  1  0.112164  0.362181  0.705341  1
  Cu  Cu99  1  0.195868  0.947306  0.676223  1
  Cu  Cu100  1  0.698748  0.444973  0.675001  1
  Cu  Cu101  1  0.862262  0.610690  0.705628  1
  Cu  Cu102  1  0.361666  0.112679  0.705340  1
  Cu  Cu103  1  0.444463  0.699258  0.675001  1
  Cu  Cu104  1  0.946797  0.196377  0.676223  1
  Cu  Cu105  1  0.570671  0.571189  0.719061  1
  Cu  Cu106  1  0.237977  0.238487  0.659402  1
  Cu  Cu107  1  0.156991  0.654321  0.691569  1
  Cu  Cu108  1  0.653809  0.157500  0.691569  1
  Cu  Cu109  1  0.903027  0.903539  0.691288  1
  Cu  Cu110  1  0.402981  0.403492  0.690706  1
  Cu  Cu111  1  0.488846  0.990384  0.659646  1
  Cu  Cu112  1  0.989874  0.489356  0.659646  1
