# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38261634
_cell_length_b   12.96077900
_cell_length_c   45.69712371
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.77371220
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu96
_cell_volume   2558.0193993
_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  0.402627  0.147063  0.284582  1
  Cu  Cu2  1  0.570396  0.478350  0.293602  1
  Cu  Cu3  1  0.730031  0.809255  0.301999  1
  Cu  Cu4  1  0.659278  0.985481  0.280891  1
  Cu  Cu5  1  0.828840  0.313508  0.289114  1
  Cu  Cu6  1  0.994387  0.643479  0.298117  1
  Cu  Cu7  1  0.897759  0.139341  0.311275  1
  Cu  Cu8  1  0.063447  0.469216  0.320195  1
  Cu  Cu9  1  0.228507  0.799864  0.328918  1
  Cu  Cu10  1  0.157459  0.973272  0.306767  1
  Cu  Cu11  1  0.327240  0.303873  0.315669  1
  Cu  Cu12  1  0.492597  0.634227  0.324718  1
  Cu  Cu13  1  0.396820  0.128998  0.338887  1
  Cu  Cu14  1  0.562331  0.459354  0.347943  1
  Cu  Cu15  1  0.727086  0.789172  0.356966  1
  Cu  Cu16  1  0.654190  0.964534  0.334735  1
  Cu  Cu17  1  0.818807  0.294447  0.343477  1
  Cu  Cu18  1  0.984730  0.624534  0.352471  1
  Cu  Cu19  1  0.893863  0.119559  0.366908  1
  Cu  Cu20  1  0.058710  0.449626  0.375886  1
  Cu  Cu21  1  0.223707  0.779589  0.384928  1
  Cu  Cu22  1  0.147532  0.954027  0.362250  1
  Cu  Cu23  1  0.313101  0.284452  0.371366  1
  Cu  Cu24  1  0.478821  0.614581  0.380430  1
  Cu  Cu25  1  0.389306  0.109563  0.394628  1
  Cu  Cu26  1  0.554220  0.439765  0.403708  1
  Cu  Cu27  1  0.719399  0.769794  0.412866  1
  Cu  Cu28  1  0.642948  0.944419  0.390089  1
  Cu  Cu29  1  0.808116  0.274743  0.399209  1
  Cu  Cu30  1  0.973693  0.604854  0.408266  1
  Cu  Cu31  1  0.884632  0.099828  0.422478  1
  Cu  Cu32  1  0.049618  0.429998  0.431556  1
  Cu  Cu33  1  0.214787  0.760032  0.440740  1
  Cu  Cu34  1  0.138268  0.934721  0.417836  1
  Cu  Cu35  1  0.303255  0.264890  0.427025  1
  Cu  Cu36  1  0.468692  0.595025  0.436125  1
  Cu  Cu37  1  0.379855  0.090039  0.450281  1
  Cu  Cu38  1  0.544878  0.420186  0.459389  1
  Cu  Cu39  1  0.710012  0.750249  0.468608  1
  Cu  Cu40  1  0.633486  0.924963  0.445651  1
  Cu  Cu41  1  0.798475  0.255119  0.454862  1
  Cu  Cu42  1  0.963773  0.585247  0.463966  1
  Cu  Cu43  1  0.875018  0.080257  0.478114  1
  Cu  Cu44  1  0.040116  0.410399  0.487225  1
  Cu  Cu45  1  0.205192  0.740485  0.496450  1
  Cu  Cu46  1  0.128669  0.915210  0.473462  1
  Cu  Cu47  1  0.293689  0.245321  0.482690  1
  Cu  Cu48  1  0.458878  0.575452  0.491807  1
  Cu  Cu49  1  0.370148  0.070474  0.505942  1
  Cu  Cu50  1  0.535336  0.400606  0.515059  1
  Cu  Cu51  1  0.700357  0.730717  0.524287  1
  Cu  Cu52  1  0.623834  0.905441  0.501298  1
  Cu  Cu53  1  0.788910  0.235527  0.510524  1
  Cu  Cu54  1  0.954008  0.565669  0.519635  1
  Cu  Cu55  1  0.865253  0.060679  0.533783  1
  Cu  Cu56  1  0.030551  0.390808  0.542886  1
  Cu  Cu57  1  0.195539  0.720963  0.552098  1
  Cu  Cu58  1  0.119014  0.895677  0.529141  1
  Cu  Cu59  1  0.284148  0.225741  0.538360  1
  Cu  Cu60  1  0.449171  0.555887  0.547468  1
  Cu  Cu61  1  0.360334  0.050901  0.561623  1
  Cu  Cu62  1  0.525770  0.381036  0.570723  1
  Cu  Cu63  1  0.690758  0.711205  0.579913  1
  Cu  Cu64  1  0.614239  0.885895  0.557009  1
  Cu  Cu65  1  0.779408  0.215929  0.566193  1
  Cu  Cu66  1  0.944394  0.546098  0.575271  1
  Cu  Cu67  1  0.855333  0.041073  0.589483  1
  Cu  Cu68  1  0.020910  0.371183  0.598540  1
  Cu  Cu69  1  0.186077  0.701507  0.607660  1
  Cu  Cu70  1  0.109627  0.876132  0.584883  1
  Cu  Cu71  1  0.274806  0.206162  0.594041  1
  Cu  Cu72  1  0.439719  0.536363  0.603121  1
  Cu  Cu73  1  0.350205  0.031346  0.617319  1
  Cu  Cu74  1  0.515925  0.361474  0.626383  1
  Cu  Cu75  1  0.681493  0.691900  0.635499  1
  Cu  Cu76  1  0.605318  0.866337  0.612821  1
  Cu  Cu77  1  0.770316  0.196301  0.621863  1
  Cu  Cu78  1  0.935163  0.526367  0.630841  1
  Cu  Cu79  1  0.844296  0.021392  0.645278  1
  Cu  Cu80  1  0.010219  0.351479  0.654272  1
  Cu  Cu81  1  0.174836  0.681392  0.663014  1
  Cu  Cu82  1  0.101939  0.856754  0.640782  1
  Cu  Cu83  1  0.266694  0.186572  0.649806  1
  Cu  Cu84  1  0.432205  0.516928  0.658861  1
  Cu  Cu85  1  0.336429  0.011699  0.673031  1
  Cu  Cu86  1  0.501785  0.342053  0.682080  1
  Cu  Cu87  1  0.671567  0.672654  0.690981  1
  Cu  Cu88  1  0.600519  0.846062  0.668831  1
  Cu  Cu89  1  0.765579  0.176711  0.677554  1
  Cu  Cu90  1  0.931266  0.506585  0.686474  1
  Cu  Cu91  1  0.834638  0.002447  0.699632  1
  Cu  Cu92  1  1.000185  0.332418  0.708634  1
  Cu  Cu93  1  0.169748  0.660445  0.716858  1
  Cu  Cu94  1  0.098994  0.836671  0.695750  1
  Cu  Cu95  1  0.258630  0.167576  0.704147  1
  Cu  Cu96  1  0.426399  0.498863  0.713167  1
