# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.02907432
_cell_length_b   8.02516140
_cell_length_c   47.39727141
_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   2992.32120753
_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  0.643076  0.894027  0.320909  1
  Cu  Cu2  1  0.139692  0.396233  0.322969  1
  Cu  Cu3  1  0.230947  0.978846  0.291969  1
  Cu  Cu4  1  0.728819  0.480183  0.292139  1
  Cu  Cu5  1  0.892725  0.644374  0.320910  1
  Cu  Cu6  1  0.394923  0.141001  0.322958  1
  Cu  Cu7  1  0.478725  0.730277  0.292138  1
  Cu  Cu8  1  0.977442  0.232426  0.291969  1
  Cu  Cu9  1  0.601647  0.602970  0.338538  1
  Cu  Cu10  1  0.270929  0.272401  0.279193  1
  Cu  Cu11  1  0.184443  0.680951  0.305147  1
  Cu  Cu12  1  0.679613  0.185810  0.305147  1
  Cu  Cu13  1  0.936028  0.937399  0.305691  1
  Cu  Cu14  1  0.437689  0.439044  0.306987  1
  Cu  Cu15  1  0.349657  0.849602  0.338063  1
  Cu  Cu16  1  0.848281  0.350982  0.338063  1
  Cu  Cu17  1  0.474961  0.725841  0.384906  1
  Cu  Cu18  1  0.974524  0.225899  0.384526  1
  Cu  Cu19  1  0.058851  0.809584  0.352483  1
  Cu  Cu20  1  0.559287  0.309938  0.353211  1
  Cu  Cu21  1  0.724620  0.476178  0.384904  1
  Cu  Cu22  1  0.224681  0.975736  0.384527  1
  Cu  Cu23  1  0.308677  0.560553  0.353214  1
  Cu  Cu24  1  0.808321  0.060118  0.352484  1
  Cu  Cu25  1  0.432563  0.433732  0.400206  1
  Cu  Cu26  1  0.100554  0.101869  0.337860  1
  Cu  Cu27  1  0.014722  0.519621  0.368908  1
  Cu  Cu28  1  0.518384  0.015962  0.368903  1
  Cu  Cu29  1  0.767537  0.768771  0.368395  1
  Cu  Cu30  1  0.266966  0.268186  0.368985  1
  Cu  Cu31  1  0.182132  0.684134  0.400043  1
  Cu  Cu32  1  0.682960  0.183305  0.400041  1
  Cu  Cu33  1  0.305988  0.557415  0.447193  1
  Cu  Cu34  1  0.806461  0.057113  0.447127  1
  Cu  Cu35  1  0.890099  0.642280  0.415915  1
  Cu  Cu36  1  0.390792  0.141274  0.415835  1
  Cu  Cu37  1  0.556340  0.307063  0.447192  1
  Cu  Cu38  1  0.056036  0.807539  0.447128  1
  Cu  Cu39  1  0.140140  0.391928  0.415836  1
  Cu  Cu40  1  0.641140  0.891242  0.415914  1
  Cu  Cu41  1  0.264102  0.265143  0.462860  1
  Cu  Cu42  1  0.932580  0.933752  0.399766  1
  Cu  Cu43  1  0.848430  0.349364  0.431620  1
  Cu  Cu44  1  0.348251  0.849543  0.431621  1
  Cu  Cu45  1  0.598294  0.599408  0.431769  1
  Cu  Cu46  1  0.098287  0.099402  0.431479  1
  Cu  Cu47  1  0.013996  0.515298  0.462920  1
  Cu  Cu48  1  0.514255  0.015038  0.462919  1
  Cu  Cu49  1  0.137705  0.388771  0.509939  1
  Cu  Cu50  1  0.637778  0.888613  0.510016  1
  Cu  Cu51  1  0.721986  0.472886  0.478644  1
  Cu  Cu52  1  0.221921  0.973050  0.478549  1
  Cu  Cu53  1  0.387825  0.138651  0.509939  1
  Cu  Cu54  1  0.887669  0.638723  0.510016  1
  Cu  Cu55  1  0.972038  0.222932  0.478549  1
  Cu  Cu56  1  0.471877  0.722996  0.478644  1
  Cu  Cu57  1  0.095595  0.096507  0.525519  1
  Cu  Cu58  1  0.764140  0.765184  0.463014  1
  Cu  Cu59  1  0.679960  0.180653  0.494256  1
  Cu  Cu60  1  0.179676  0.680939  0.494256  1
  Cu  Cu61  1  0.429818  0.430797  0.494275  1
  Cu  Cu62  1  0.929852  0.930830  0.494258  1
  Cu  Cu63  1  0.845636  0.346446  0.525571  1
  Cu  Cu64  1  0.345535  0.846547  0.525571  1
  Cu  Cu65  1  0.969258  0.219864  0.572463  1
  Cu  Cu66  1  0.468941  0.720355  0.572605  1
  Cu  Cu67  1  0.553649  0.304162  0.541363  1
  Cu  Cu68  1  0.053266  0.804426  0.541364  1
  Cu  Cu69  1  0.219059  0.970065  0.572463  1
  Cu  Cu70  1  0.719543  0.469754  0.572604  1
  Cu  Cu71  1  0.803544  0.054146  0.541364  1
  Cu  Cu72  1  0.303280  0.554533  0.541364  1
  Cu  Cu73  1  0.926936  0.927725  0.588606  1
  Cu  Cu74  1  0.595563  0.596475  0.525658  1
  Cu  Cu75  1  0.511578  0.012084  0.557028  1
  Cu  Cu76  1  0.011238  0.512425  0.557029  1
  Cu  Cu77  1  0.261402  0.262248  0.556928  1
  Cu  Cu78  1  0.761327  0.762172  0.557134  1
  Cu  Cu79  1  0.677505  0.177260  0.588549  1
  Cu  Cu80  1  0.176468  0.678296  0.588551  1
  Cu  Cu81  1  0.801330  0.050729  0.636142  1
  Cu  Cu82  1  0.300709  0.551453  0.635456  1
  Cu  Cu83  1  0.385130  0.135667  0.603899  1
  Cu  Cu84  1  0.885077  0.635928  0.604269  1
  Cu  Cu85  1  0.050029  0.802041  0.636145  1
  Cu  Cu86  1  0.550753  0.301413  0.635456  1
  Cu  Cu87  1  0.635178  0.885823  0.604268  1
  Cu  Cu88  1  0.134920  0.385872  0.603899  1
  Cu  Cu89  1  0.761183  0.761833  0.651657  1
  Cu  Cu90  1  0.427159  0.427948  0.588378  1
  Cu  Cu91  1  0.341383  0.844291  0.619489  1
  Cu  Cu92  1  0.843580  0.342093  0.619485  1
  Cu  Cu93  1  0.092780  0.093476  0.619303  1
  Cu  Cu94  1  0.593534  0.594238  0.619311  1
  Cu  Cu95  1  0.507900  0.009187  0.650902  1
  Cu  Cu96  1  0.008535  0.508555  0.650901  1
  Cu  Cu97  1  0.633263  0.883772  0.697697  1
  Cu  Cu98  1  0.131696  0.378990  0.697446  1
  Cu  Cu99  1  0.215297  0.969855  0.666284  1
  Cu  Cu100  1  0.717295  0.468567  0.665409  1
  Cu  Cu101  1  0.883215  0.633822  0.697695  1
  Cu  Cu102  1  0.378481  0.132264  0.697448  1
  Cu  Cu103  1  0.467963  0.717894  0.665410  1
  Cu  Cu104  1  0.969237  0.215915  0.666272  1
  Cu  Cu105  1  0.589277  0.589736  0.711241  1
  Cu  Cu106  1  0.259619  0.260264  0.650557  1
  Cu  Cu107  1  0.174969  0.671320  0.682444  1
  Cu  Cu108  1  0.670704  0.175608  0.682443  1
  Cu  Cu109  1  0.931107  0.931731  0.684898  1
  Cu  Cu110  1  0.424655  0.425297  0.682674  1
  Cu  Cu111  1  0.338442  0.839089  0.710640  1
  Cu  Cu112  1  0.838630  0.338910  0.710639  1
