# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39435840
_cell_length_b   12.73353633
_cell_length_c   46.02294054
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.97887390
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu96
_cell_volume   2536.28780865
_cell_formula_units_Z   96
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  0.330540  0.983532  0.278804  1
  Cu  Cu2  1  0.487823  0.310763  0.287093  1
  Cu  Cu3  1  0.652236  0.640434  0.296074  1
  Cu  Cu4  1  0.751511  0.146745  0.282613  1
  Cu  Cu5  1  0.913789  0.475668  0.291599  1
  Cu  Cu6  1  0.083505  0.804761  0.300021  1
  Cu  Cu7  1  0.819679  0.968994  0.304853  1
  Cu  Cu8  1  0.982618  0.300920  0.314405  1
  Cu  Cu9  1  0.147111  0.630237  0.323398  1
  Cu  Cu10  1  0.243951  0.136024  0.309926  1
  Cu  Cu11  1  0.409420  0.465530  0.318863  1
  Cu  Cu12  1  0.575335  0.795418  0.327707  1
  Cu  Cu13  1  0.314162  0.959975  0.333124  1
  Cu  Cu14  1  0.479762  0.290207  0.342209  1
  Cu  Cu15  1  0.643763  0.620174  0.351244  1
  Cu  Cu16  1  0.736877  0.124550  0.337467  1
  Cu  Cu17  1  0.901894  0.455258  0.346749  1
  Cu  Cu18  1  0.067406  0.784826  0.355690  1
  Cu  Cu19  1  0.809859  0.949660  0.360609  1
  Cu  Cu20  1  0.974746  0.279670  0.369912  1
  Cu  Cu21  1  0.139423  0.609820  0.379064  1
  Cu  Cu22  1  0.230978  0.114844  0.365373  1
  Cu  Cu23  1  0.395743  0.444839  0.374491  1
  Cu  Cu24  1  0.561141  0.774717  0.383560  1
  Cu  Cu25  1  0.304732  0.939417  0.388509  1
  Cu  Cu26  1  0.469884  0.269522  0.397752  1
  Cu  Cu27  1  0.634479  0.599465  0.406877  1
  Cu  Cu28  1  0.725297  0.104413  0.393091  1
  Cu  Cu29  1  0.890291  0.434466  0.402307  1
  Cu  Cu30  1  0.055334  0.764326  0.411454  1
  Cu  Cu31  1  0.799635  0.929194  0.416235  1
  Cu  Cu32  1  0.964681  0.259153  0.425513  1
  Cu  Cu33  1  0.129398  0.589132  0.434694  1
  Cu  Cu34  1  0.219981  0.094183  0.420916  1
  Cu  Cu35  1  0.384934  0.424191  0.430103  1
  Cu  Cu36  1  0.549935  0.754054  0.439282  1
  Cu  Cu37  1  0.294425  0.918902  0.444059  1
  Cu  Cu38  1  0.459495  0.248873  0.453319  1
  Cu  Cu39  1  0.624278  0.578834  0.462499  1
  Cu  Cu40  1  0.714714  0.083872  0.448689  1
  Cu  Cu41  1  0.879661  0.413853  0.457901  1
  Cu  Cu42  1  0.044642  0.743741  0.467122  1
  Cu  Cu43  1  0.789238  0.908629  0.471846  1
  Cu  Cu44  1  0.954265  0.238554  0.481104  1
  Cu  Cu45  1  0.119116  0.568519  0.490308  1
  Cu  Cu46  1  0.209514  0.073576  0.476497  1
  Cu  Cu47  1  0.374418  0.403551  0.485697  1
  Cu  Cu48  1  0.539425  0.733460  0.494932  1
  Cu  Cu49  1  0.284031  0.898334  0.499666  1
  Cu  Cu50  1  0.449037  0.228243  0.508902  1
  Cu  Cu51  1  0.613942  0.558218  0.518102  1
  Cu  Cu52  1  0.704340  0.063275  0.504291  1
  Cu  Cu53  1  0.869191  0.393240  0.513495  1
  Cu  Cu54  1  0.034218  0.723165  0.522753  1
  Cu  Cu55  1  0.778813  0.888053  0.527477  1
  Cu  Cu56  1  0.943795  0.217941  0.536698  1
  Cu  Cu57  1  0.108741  0.547922  0.545910  1
  Cu  Cu58  1  0.199178  0.052960  0.532100  1
  Cu  Cu59  1  0.363961  0.382920  0.541280  1
  Cu  Cu60  1  0.529031  0.712892  0.550539  1
  Cu  Cu61  1  0.273521  0.877740  0.555317  1
  Cu  Cu62  1  0.438522  0.207603  0.564496  1
  Cu  Cu63  1  0.603474  0.537610  0.573683  1
  Cu  Cu64  1  0.694057  0.042662  0.559905  1
  Cu  Cu65  1  0.858775  0.372641  0.569086  1
  Cu  Cu66  1  0.023821  0.702600  0.578364  1
  Cu  Cu67  1  0.768121  0.867468  0.583145  1
  Cu  Cu68  1  0.933165  0.197328  0.592291  1
  Cu  Cu69  1  0.098159  0.527381  0.601508  1
  Cu  Cu70  1  0.188976  0.032329  0.587722  1
  Cu  Cu71  1  0.353571  0.362272  0.596847  1
  Cu  Cu72  1  0.518723  0.692377  0.606090  1
  Cu  Cu73  1  0.262314  0.857077  0.611039  1
  Cu  Cu74  1  0.427712  0.186954  0.620108  1
  Cu  Cu75  1  0.592477  0.516950  0.629225  1
  Cu  Cu76  1  0.684033  0.021974  0.615534  1
  Cu  Cu77  1  0.848710  0.352124  0.624687  1
  Cu  Cu78  1  0.013597  0.682134  0.633990  1
  Cu  Cu79  1  0.756049  0.846967  0.638909  1
  Cu  Cu80  1  0.921562  0.176536  0.647850  1
  Cu  Cu81  1  0.086578  0.507244  0.657132  1
  Cu  Cu82  1  0.179693  0.011620  0.643355  1
  Cu  Cu83  1  0.343694  0.341587  0.652389  1
  Cu  Cu84  1  0.509293  0.671819  0.661475  1
  Cu  Cu85  1  0.248121  0.836376  0.666892  1
  Cu  Cu86  1  0.414035  0.166264  0.675736  1
  Cu  Cu87  1  0.579505  0.495770  0.684673  1
  Cu  Cu88  1  0.676345  1.001557  0.671200  1
  Cu  Cu89  1  0.840837  0.330874  0.680194  1
  Cu  Cu90  1  1.003777  0.662800  0.689746  1
  Cu  Cu91  1  0.739951  0.827033  0.694577  1
  Cu  Cu92  1  0.909667  0.156126  0.702999  1
  Cu  Cu93  1  0.071945  0.485049  0.711986  1
  Cu  Cu94  1  0.171220  0.991360  0.698525  1
  Cu  Cu95  1  0.335633  0.321031  0.707506  1
  Cu  Cu96  1  0.492916  0.648262  0.715795  1
