# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18435124
_cell_length_b   12.85474009
_cell_length_c   45.90368920
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.05841772
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu198
_cell_volume   5367.5259314
_cell_formula_units_Z   198
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  0.134439  0.767437  0.282665  1
  Cu  Cu2  1  0.467772  0.434104  0.282665  1
  Cu  Cu3  1  0.401245  0.763107  0.294415  1
  Cu  Cu4  1  0.801106  0.100771  0.282665  1
  Cu  Cu5  1  0.734579  0.429773  0.294415  1
  Cu  Cu6  1  0.669452  0.756478  0.306697  1
  Cu  Cu7  1  0.067912  0.096440  0.294415  1
  Cu  Cu8  1  1.002785  0.423144  0.306697  1
  Cu  Cu9  1  0.336119  0.089811  0.306697  1
  Cu  Cu10  1  0.124338  0.590176  0.304627  1
  Cu  Cu11  1  0.457671  0.256843  0.304627  1
  Cu  Cu12  1  0.392710  0.585224  0.316705  1
  Cu  Cu13  1  0.791005  0.923509  0.304627  1
  Cu  Cu14  1  0.726044  0.251891  0.316705  1
  Cu  Cu15  1  0.854054  0.597309  0.292262  1
  Cu  Cu16  1  0.059377  0.918557  0.316705  1
  Cu  Cu17  1  0.187388  0.263976  0.292262  1
  Cu  Cu18  1  0.520721  0.930642  0.292262  1
  Cu  Cu19  1  0.938822  0.749355  0.319569  1
  Cu  Cu20  1  0.272156  0.416022  0.319569  1
  Cu  Cu21  1  0.208971  0.742313  0.333515  1
  Cu  Cu22  1  0.605489  0.082689  0.319569  1
  Cu  Cu23  1  0.542304  0.408980  0.333515  1
  Cu  Cu24  1  0.479235  0.736110  0.346254  1
  Cu  Cu25  1  0.875638  0.075646  0.333515  1
  Cu  Cu26  1  0.812568  0.402777  0.346254  1
  Cu  Cu27  1  0.145902  0.069444  0.346254  1
  Cu  Cu28  1  0.934203  0.569797  0.343620  1
  Cu  Cu29  1  0.267536  0.236464  0.343620  1
  Cu  Cu30  1  0.205619  0.562514  0.356938  1
  Cu  Cu31  1  0.600870  0.903130  0.343620  1
  Cu  Cu32  1  0.538952  0.229180  0.356938  1
  Cu  Cu33  1  0.661248  0.577525  0.329578  1
  Cu  Cu34  1  0.872285  0.895847  0.356938  1
  Cu  Cu35  1  0.994581  0.244192  0.329578  1
  Cu  Cu36  1  0.327914  0.910858  0.329578  1
  Cu  Cu37  1  0.749644  0.727978  0.359165  1
  Cu  Cu38  1  0.082977  0.394645  0.359165  1
  Cu  Cu39  1  0.019647  0.720988  0.372887  1
  Cu  Cu40  1  0.416310  0.061311  0.359165  1
  Cu  Cu41  1  0.352980  0.387655  0.372887  1
  Cu  Cu42  1  0.289954  0.714345  0.386399  1
  Cu  Cu43  1  0.686314  0.054322  0.372887  1
  Cu  Cu44  1  0.623288  0.381012  0.386399  1
  Cu  Cu45  1  0.956621  0.047678  0.386399  1
  Cu  Cu46  1  0.745313  0.549364  0.383459  1
  Cu  Cu47  1  0.078646  0.216031  0.383459  1
  Cu  Cu48  1  0.016501  0.541786  0.396938  1
  Cu  Cu49  1  0.411979  0.882698  0.383459  1
  Cu  Cu50  1  0.349835  0.208453  0.396938  1
  Cu  Cu51  1  0.475309  0.556534  0.370143  1
  Cu  Cu52  1  0.683168  0.875119  0.396938  1
  Cu  Cu53  1  0.808642  0.223200  0.370143  1
  Cu  Cu54  1  0.141976  0.889867  0.370143  1
  Cu  Cu55  1  0.560337  0.707573  0.399608  1
  Cu  Cu56  1  0.893670  0.374239  0.399608  1
  Cu  Cu57  1  0.830736  0.700242  0.412926  1
  Cu  Cu58  1  0.227004  0.040906  0.399608  1
  Cu  Cu59  1  0.164069  0.366909  0.412926  1
  Cu  Cu60  1  0.101159  0.693172  0.426452  1
  Cu  Cu61  1  0.497403  0.033575  0.412926  1
  Cu  Cu62  1  0.434492  0.359839  0.426452  1
  Cu  Cu63  1  0.767826  0.026506  0.426452  1
  Cu  Cu64  1  0.557566  0.528159  0.423757  1
  Cu  Cu65  1  0.890899  0.194826  0.423757  1
  Cu  Cu66  1  0.828058  0.521069  0.437117  1
  Cu  Cu67  1  0.224233  0.861492  0.423757  1
  Cu  Cu68  1  0.161392  0.187735  0.437117  1
  Cu  Cu69  1  0.287209  0.534943  0.410400  1
  Cu  Cu70  1  0.494725  0.854402  0.437117  1
  Cu  Cu71  1  0.620542  0.201610  0.410400  1
  Cu  Cu72  1  0.953875  0.868276  0.410400  1
  Cu  Cu73  1  0.371729  0.686313  0.439841  1
  Cu  Cu74  1  0.705062  0.352979  0.439841  1
  Cu  Cu75  1  0.642256  0.679322  0.453179  1
  Cu  Cu76  1  0.038395  0.019646  0.439841  1
  Cu  Cu77  1  0.975589  0.345988  0.453179  1
  Cu  Cu78  1  0.912716  0.672222  0.466577  1
  Cu  Cu79  1  0.308922  0.012655  0.453179  1
  Cu  Cu80  1  0.246049  0.338888  0.466577  1
  Cu  Cu81  1  0.579382  0.005555  0.466577  1
  Cu  Cu82  1  0.369221  0.506966  0.463946  1
  Cu  Cu83  1  0.702554  0.173633  0.463946  1
  Cu  Cu84  1  0.639751  0.499996  0.477327  1
  Cu  Cu85  1  0.035887  0.840300  0.463946  1
  Cu  Cu86  1  0.973084  0.166663  0.477327  1
  Cu  Cu87  1  0.098659  0.513902  0.450522  1
  Cu  Cu88  1  0.306418  0.833330  0.477327  1
  Cu  Cu89  1  0.431992  0.180569  0.450522  1
  Cu  Cu90  1  0.765325  0.847235  0.450522  1
  Cu  Cu91  1  0.183258  0.665197  0.479991  1
  Cu  Cu92  1  0.516592  0.331864  0.479991  1
  Cu  Cu93  1  0.453833  0.658240  0.493382  1
  Cu  Cu94  1  0.849925  0.998531  0.479991  1
  Cu  Cu95  1  0.787167  0.324906  0.493382  1
  Cu  Cu96  1  0.724347  0.651201  0.506773  1
  Cu  Cu97  1  0.120500  0.991573  0.493382  1
  Cu  Cu98  1  0.057681  0.317868  0.506773  1
  Cu  Cu99  1  0.391014  0.984534  0.506773  1
  Cu  Cu100  1  0.180779  0.485895  0.504105  1
  Cu  Cu101  1  0.514112  0.152561  0.504105  1
  Cu  Cu102  1  0.451354  0.478937  0.517497  1
  Cu  Cu103  1  0.847446  0.819228  0.504105  1
  Cu  Cu104  1  0.784687  0.145604  0.517497  1
  Cu  Cu105  1  0.910265  0.492934  0.490714  1
  Cu  Cu106  1  0.118021  0.812271  0.517497  1
  Cu  Cu107  1  0.243598  0.159600  0.490714  1
  Cu  Cu108  1  0.576932  0.826267  0.490714  1
  Cu  Cu109  1  0.994861  0.644138  0.520160  1
  Cu  Cu110  1  0.328195  0.310805  0.520160  1
  Cu  Cu111  1  0.265392  0.637168  0.533542  1
  Cu  Cu112  1  0.661528  0.977471  0.520160  1
  Cu  Cu113  1  0.598725  0.303835  0.533542  1
  Cu  Cu114  1  0.535954  0.630233  0.546965  1
  Cu  Cu115  1  0.932058  0.970502  0.533542  1
  Cu  Cu116  1  0.869287  0.296899  0.546965  1
  Cu  Cu117  1  0.202620  0.963566  0.546965  1
  Cu  Cu118  1  0.992357  0.464813  0.544308  1
  Cu  Cu119  1  0.325690  0.131480  0.544308  1
  Cu  Cu120  1  0.262884  0.457822  0.557647  1
  Cu  Cu121  1  0.659023  0.798146  0.544308  1
  Cu  Cu122  1  0.596217  0.124489  0.557647  1
  Cu  Cu123  1  0.721897  0.471913  0.530910  1
  Cu  Cu124  1  0.929550  0.791155  0.557647  1
  Cu  Cu125  1  0.055230  0.138580  0.530910  1
  Cu  Cu126  1  0.388563  0.805246  0.530910  1
  Cu  Cu127  1  0.806554  0.623066  0.560370  1
  Cu  Cu128  1  0.139887  0.289733  0.560370  1
  Cu  Cu129  1  0.077046  0.615975  0.573731  1
  Cu  Cu130  1  0.473221  0.956399  0.560370  1
  Cu  Cu131  1  0.410380  0.282642  0.573731  1
  Cu  Cu132  1  0.347404  0.609192  0.587087  1
  Cu  Cu133  1  0.743713  0.949309  0.573731  1
  Cu  Cu134  1  0.680737  0.275858  0.587087  1
  Cu  Cu135  1  0.014070  0.942525  0.587087  1
  Cu  Cu136  1  0.803876  0.443893  0.584562  1
  Cu  Cu137  1  0.137210  0.110559  0.584562  1
  Cu  Cu138  1  0.074275  0.436562  0.597880  1
  Cu  Cu139  1  0.470543  0.777226  0.584562  1
  Cu  Cu140  1  0.407609  0.103229  0.597880  1
  Cu  Cu141  1  0.533453  0.450962  0.571036  1
  Cu  Cu142  1  0.740942  0.769895  0.597880  1
  Cu  Cu143  1  0.866787  0.117629  0.571036  1
  Cu  Cu144  1  0.200120  0.784295  0.571036  1
  Cu  Cu145  1  0.618111  0.602348  0.600549  1
  Cu  Cu146  1  0.951444  0.269015  0.600549  1
  Cu  Cu147  1  0.889300  0.594770  0.614029  1
  Cu  Cu148  1  0.284778  0.935682  0.600549  1
  Cu  Cu149  1  0.222633  0.261437  0.614029  1
  Cu  Cu150  1  0.159303  0.587601  0.627344  1
  Cu  Cu151  1  0.555966  0.928103  0.614029  1
  Cu  Cu152  1  0.492637  0.254268  0.627344  1
  Cu  Cu153  1  0.825970  0.920934  0.627344  1
  Cu  Cu154  1  0.614965  0.423146  0.624601  1
  Cu  Cu155  1  0.948299  0.089813  0.624601  1
  Cu  Cu156  1  0.884969  0.416157  0.638322  1
  Cu  Cu157  1  0.281632  0.756480  0.624601  1
  Cu  Cu158  1  0.218302  0.082823  0.638322  1
  Cu  Cu159  1  0.344658  0.429790  0.611089  1
  Cu  Cu160  1  0.551635  0.749490  0.638322  1
  Cu  Cu161  1  0.677991  0.096456  0.611089  1
  Cu  Cu162  1  0.011325  0.763123  0.611089  1
  Cu  Cu163  1  0.428994  0.581621  0.640550  1
  Cu  Cu164  1  0.762327  0.248287  0.640550  1
  Cu  Cu165  1  0.700409  0.574338  0.653868  1
  Cu  Cu166  1  0.095660  0.914954  0.640550  1
  Cu  Cu167  1  0.033743  0.241004  0.653868  1
  Cu  Cu168  1  0.973365  0.566610  0.667910  1
  Cu  Cu169  1  0.367076  0.907671  0.653868  1
  Cu  Cu170  1  0.306698  0.233276  0.667910  1
  Cu  Cu171  1  0.640031  0.899943  0.667910  1
  Cu  Cu172  1  0.425641  0.401822  0.663972  1
  Cu  Cu173  1  0.758975  0.068488  0.663972  1
  Cu  Cu174  1  0.695790  0.394779  0.677918  1
  Cu  Cu175  1  0.092308  0.735155  0.663972  1
  Cu  Cu176  1  0.029123  0.061446  0.677918  1
  Cu  Cu177  1  0.155377  0.408024  0.651233  1
  Cu  Cu178  1  0.362457  0.728113  0.677918  1
  Cu  Cu179  1  0.488711  0.074691  0.651233  1
  Cu  Cu180  1  0.822044  0.741357  0.651233  1
  Cu  Cu181  1  0.241902  0.558911  0.680782  1
  Cu  Cu182  1  0.575235  0.225577  0.680782  1
  Cu  Cu183  1  0.510274  0.553959  0.692861  1
  Cu  Cu184  1  0.908569  0.892244  0.680782  1
  Cu  Cu185  1  0.843608  0.220625  0.692861  1
  Cu  Cu186  1  0.780558  0.546825  0.705226  1
  Cu  Cu187  1  0.176941  0.887292  0.692861  1
  Cu  Cu188  1  0.113891  0.213492  0.705226  1
  Cu  Cu189  1  0.447225  0.880159  0.705226  1
  Cu  Cu190  1  0.233367  0.381028  0.703072  1
  Cu  Cu191  1  0.566700  0.047695  0.703072  1
  Cu  Cu192  1  0.500173  0.376697  0.714823  1
  Cu  Cu193  1  0.900034  0.714361  0.703072  1
  Cu  Cu194  1  0.833507  0.043364  0.714823  1
  Cu  Cu195  1  0.965160  0.387657  0.690790  1
  Cu  Cu196  1  0.166840  0.710030  0.714823  1
  Cu  Cu197  1  0.298494  0.054324  0.690790  1
  Cu  Cu198  1  0.631827  0.720990  0.690790  1
