# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.19222074
_cell_length_b   11.24745942
_cell_length_c   46.63209164
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.92621431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu216
_cell_volume   5603.00074464
_cell_formula_units_Z   216
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  0.078151  0.933904  0.294699  1
  Cu  Cu2  1  0.744818  0.933904  0.294699  1
  Cu  Cu3  1  0.678398  0.463784  0.283550  1
  Cu  Cu4  1  0.411485  0.933904  0.294699  1
  Cu  Cu5  1  0.345065  0.463784  0.283550  1
  Cu  Cu6  1  0.011732  0.463784  0.283550  1
  Cu  Cu7  1  0.491961  0.199533  0.289499  1
  Cu  Cu8  1  0.158628  0.199533  0.289499  1
  Cu  Cu9  1  0.088657  0.727445  0.278154  1
  Cu  Cu10  1  0.825294  0.199533  0.289499  1
  Cu  Cu11  1  0.755324  0.727445  0.278154  1
  Cu  Cu12  1  0.421991  0.727445  0.278154  1
  Cu  Cu13  1  0.885486  0.878192  0.319385  1
  Cu  Cu14  1  0.552153  0.878192  0.319385  1
  Cu  Cu15  1  0.482239  0.405254  0.306641  1
  Cu  Cu16  1  0.218819  0.878192  0.319385  1
  Cu  Cu17  1  0.148905  0.405254  0.306641  1
  Cu  Cu18  1  0.815572  0.405254  0.306641  1
  Cu  Cu19  1  0.296085  0.140214  0.312495  1
  Cu  Cu20  1  0.962752  0.140214  0.312495  1
  Cu  Cu21  1  0.893554  0.668490  0.300930  1
  Cu  Cu22  1  0.629419  0.140214  0.312495  1
  Cu  Cu23  1  0.560221  0.668490  0.300930  1
  Cu  Cu24  1  0.226887  0.668490  0.300930  1
  Cu  Cu25  1  0.689154  0.817882  0.344142  1
  Cu  Cu26  1  0.355821  0.817882  0.344142  1
  Cu  Cu27  1  0.287010  0.346588  0.332290  1
  Cu  Cu28  1  0.022488  0.817882  0.344142  1
  Cu  Cu29  1  0.953677  0.346588  0.332290  1
  Cu  Cu30  1  0.620343  0.346588  0.332290  1
  Cu  Cu31  1  0.100895  0.082430  0.338319  1
  Cu  Cu32  1  0.767561  0.082430  0.338319  1
  Cu  Cu33  1  0.697945  0.611079  0.326413  1
  Cu  Cu34  1  0.434228  0.082430  0.338319  1
  Cu  Cu35  1  0.364612  0.611079  0.326413  1
  Cu  Cu36  1  0.031279  0.611079  0.326413  1
  Cu  Cu37  1  0.494120  0.760390  0.369330  1
  Cu  Cu38  1  0.160786  0.760390  0.369330  1
  Cu  Cu39  1  0.091309  0.288337  0.356525  1
  Cu  Cu40  1  0.827453  0.760390  0.369330  1
  Cu  Cu41  1  0.757975  0.288337  0.356525  1
  Cu  Cu42  1  0.424642  0.288337  0.356525  1
  Cu  Cu43  1  0.904951  0.024807  0.362930  1
  Cu  Cu44  1  0.571618  0.024807  0.362930  1
  Cu  Cu45  1  0.502144  0.552727  0.350598  1
  Cu  Cu46  1  0.238285  0.024807  0.362930  1
  Cu  Cu47  1  0.168811  0.552727  0.350598  1
  Cu  Cu48  1  0.835477  0.552727  0.350598  1
  Cu  Cu49  1  0.297982  0.701510  0.394353  1
  Cu  Cu50  1  0.964649  0.701510  0.394353  1
  Cu  Cu51  1  0.895807  0.230464  0.382025  1
  Cu  Cu52  1  0.631315  0.701510  0.394353  1
  Cu  Cu53  1  0.562473  0.230464  0.382025  1
  Cu  Cu54  1  0.229140  0.230464  0.382025  1
  Cu  Cu55  1  0.709032  0.965911  0.388154  1
  Cu  Cu56  1  0.375699  0.965911  0.388154  1
  Cu  Cu57  1  0.306482  0.494755  0.375902  1
  Cu  Cu58  1  0.042366  0.965911  0.388154  1
  Cu  Cu59  1  0.973148  0.494755  0.375902  1
  Cu  Cu60  1  0.639815  0.494755  0.375902  1
  Cu  Cu61  1  0.102373  0.643459  0.419499  1
  Cu  Cu62  1  0.769039  0.643459  0.419499  1
  Cu  Cu63  1  0.700162  0.172376  0.406904  1
  Cu  Cu64  1  0.435706  0.643459  0.419499  1
  Cu  Cu65  1  0.366829  0.172376  0.406904  1
  Cu  Cu66  1  0.033496  0.172376  0.406904  1
  Cu  Cu67  1  0.513393  0.908001  0.413194  1
  Cu  Cu68  1  0.180060  0.908001  0.413194  1
  Cu  Cu69  1  0.110979  0.436589  0.400708  1
  Cu  Cu70  1  0.846726  0.908001  0.413194  1
  Cu  Cu71  1  0.777646  0.436589  0.400708  1
  Cu  Cu72  1  0.444312  0.436589  0.400708  1
  Cu  Cu73  1  0.906519  0.585134  0.444548  1
  Cu  Cu74  1  0.573186  0.585134  0.444548  1
  Cu  Cu75  1  0.504343  0.114104  0.432074  1
  Cu  Cu76  1  0.239852  0.585134  0.444548  1
  Cu  Cu77  1  0.171010  0.114104  0.432074  1
  Cu  Cu78  1  0.837676  0.114104  0.432074  1
  Cu  Cu79  1  0.317599  0.849625  0.438299  1
  Cu  Cu80  1  0.984266  0.849625  0.438299  1
  Cu  Cu81  1  0.915370  0.378623  0.425891  1
  Cu  Cu82  1  0.650933  0.849625  0.438299  1
  Cu  Cu83  1  0.582036  0.378623  0.425891  1
  Cu  Cu84  1  0.248703  0.378623  0.425891  1
  Cu  Cu85  1  0.710830  0.527013  0.469654  1
  Cu  Cu86  1  0.377496  0.527013  0.469654  1
  Cu  Cu87  1  0.308648  0.056002  0.457111  1
  Cu  Cu88  1  0.044163  0.527013  0.469654  1
  Cu  Cu89  1  0.975315  0.056002  0.457111  1
  Cu  Cu90  1  0.641982  0.056002  0.457111  1
  Cu  Cu91  1  0.121879  0.791517  0.463377  1
  Cu  Cu92  1  0.788546  0.791517  0.463377  1
  Cu  Cu93  1  0.719656  0.320447  0.450875  1
  Cu  Cu94  1  0.455212  0.791517  0.463377  1
  Cu  Cu95  1  0.386322  0.320447  0.450875  1
  Cu  Cu96  1  0.052989  0.320447  0.450875  1
  Cu  Cu97  1  0.515057  0.468787  0.494718  1
  Cu  Cu98  1  0.181724  0.468787  0.494718  1
  Cu  Cu99  1  0.112869  0.997767  0.482208  1
  Cu  Cu100  1  0.848390  0.468787  0.494718  1
  Cu  Cu101  1  0.779536  0.997767  0.482208  1
  Cu  Cu102  1  0.446202  0.997767  0.482208  1
  Cu  Cu103  1  0.926117  0.733283  0.488465  1
  Cu  Cu104  1  0.592784  0.733283  0.488465  1
  Cu  Cu105  1  0.523928  0.262285  0.475970  1
  Cu  Cu106  1  0.259450  0.733283  0.488465  1
  Cu  Cu107  1  0.190594  0.262285  0.475970  1
  Cu  Cu108  1  0.857261  0.262285  0.475970  1
  Cu  Cu109  1  0.319329  0.410631  0.519778  1
  Cu  Cu110  1  0.985996  0.410631  0.519778  1
  Cu  Cu111  1  0.917140  0.939633  0.507283  1
  Cu  Cu112  1  0.652663  0.410631  0.519778  1
  Cu  Cu113  1  0.583807  0.939633  0.507283  1
  Cu  Cu114  1  0.250473  0.939633  0.507283  1
  Cu  Cu115  1  0.730388  0.675149  0.513540  1
  Cu  Cu116  1  0.397054  0.675149  0.513540  1
  Cu  Cu117  1  0.328200  0.204129  0.501029  1
  Cu  Cu118  1  0.063721  0.675149  0.513540  1
  Cu  Cu119  1  0.994867  0.204129  0.501029  1
  Cu  Cu120  1  0.661533  0.204129  0.501029  1
  Cu  Cu121  1  0.123601  0.352469  0.544872  1
  Cu  Cu122  1  0.790268  0.352469  0.544872  1
  Cu  Cu123  1  0.721378  0.881399  0.532370  1
  Cu  Cu124  1  0.456934  0.352469  0.544872  1
  Cu  Cu125  1  0.388045  0.881399  0.532370  1
  Cu  Cu126  1  0.054711  0.881399  0.532370  1
  Cu  Cu127  1  0.534609  0.616914  0.538636  1
  Cu  Cu128  1  0.201275  0.616914  0.538636  1
  Cu  Cu129  1  0.132427  0.145903  0.526094  1
  Cu  Cu130  1  0.867942  0.616914  0.538636  1
  Cu  Cu131  1  0.799094  0.145903  0.526094  1
  Cu  Cu132  1  0.465761  0.145903  0.526094  1
  Cu  Cu133  1  0.927887  0.294293  0.569856  1
  Cu  Cu134  1  0.594554  0.294293  0.569856  1
  Cu  Cu135  1  0.525658  0.823291  0.557448  1
  Cu  Cu136  1  0.261221  0.294293  0.569856  1
  Cu  Cu137  1  0.192324  0.823291  0.557448  1
  Cu  Cu138  1  0.858991  0.823291  0.557448  1
  Cu  Cu139  1  0.338914  0.558812  0.563673  1
  Cu  Cu140  1  0.005581  0.558812  0.563673  1
  Cu  Cu141  1  0.936738  0.087782  0.551199  1
  Cu  Cu142  1  0.672247  0.558812  0.563673  1
  Cu  Cu143  1  0.603405  0.087782  0.551199  1
  Cu  Cu144  1  0.270071  0.087782  0.551199  1
  Cu  Cu145  1  0.732278  0.236327  0.595040  1
  Cu  Cu146  1  0.398944  0.236327  0.595040  1
  Cu  Cu147  1  0.329864  0.764915  0.582553  1
  Cu  Cu148  1  0.065611  0.236327  0.595040  1
  Cu  Cu149  1  0.996531  0.764915  0.582553  1
  Cu  Cu150  1  0.663197  0.764915  0.582553  1
  Cu  Cu151  1  0.143095  0.500540  0.588843  1
  Cu  Cu152  1  0.809761  0.500540  0.588843  1
  Cu  Cu153  1  0.740884  0.029457  0.576248  1
  Cu  Cu154  1  0.476428  0.500540  0.588843  1
  Cu  Cu155  1  0.407551  0.029457  0.576248  1
  Cu  Cu156  1  0.074218  0.029457  0.576248  1
  Cu  Cu157  1  0.536775  0.178161  0.619845  1
  Cu  Cu158  1  0.203442  0.178161  0.619845  1
  Cu  Cu159  1  0.134225  0.707005  0.607594  1
  Cu  Cu160  1  0.870109  0.178161  0.619845  1
  Cu  Cu161  1  0.800891  0.707005  0.607594  1
  Cu  Cu162  1  0.467558  0.707005  0.607594  1
  Cu  Cu163  1  0.947450  0.442452  0.613722  1
  Cu  Cu164  1  0.614117  0.442452  0.613722  1
  Cu  Cu165  1  0.545275  0.971406  0.601395  1
  Cu  Cu166  1  0.280784  0.442452  0.613722  1
  Cu  Cu167  1  0.211942  0.971406  0.601395  1
  Cu  Cu168  1  0.878608  0.971406  0.601395  1
  Cu  Cu169  1  0.341113  0.120189  0.645150  1
  Cu  Cu170  1  0.007779  0.120189  0.645150  1
  Cu  Cu171  1  0.938306  0.648109  0.632817  1
  Cu  Cu172  1  0.674446  0.120189  0.645150  1
  Cu  Cu173  1  0.604972  0.648109  0.632817  1
  Cu  Cu174  1  0.271639  0.648109  0.632817  1
  Cu  Cu175  1  0.751948  0.384579  0.639222  1
  Cu  Cu176  1  0.418615  0.384579  0.639222  1
  Cu  Cu177  1  0.349137  0.912526  0.626417  1
  Cu  Cu178  1  0.085282  0.384579  0.639222  1
  Cu  Cu179  1  0.015804  0.912526  0.626417  1
  Cu  Cu180  1  0.682471  0.912526  0.626417  1
  Cu  Cu181  1  0.145312  0.061837  0.669334  1
  Cu  Cu182  1  0.811978  0.061837  0.669334  1
  Cu  Cu183  1  0.742362  0.590486  0.657428  1
  Cu  Cu184  1  0.478645  0.061837  0.669334  1
  Cu  Cu185  1  0.409029  0.590486  0.657428  1
  Cu  Cu186  1  0.075696  0.590486  0.657428  1
  Cu  Cu187  1  0.556247  0.326328  0.663457  1
  Cu  Cu188  1  0.222913  0.326328  0.663457  1
  Cu  Cu189  1  0.154103  0.855034  0.651605  1
  Cu  Cu190  1  0.889580  0.326328  0.663457  1
  Cu  Cu191  1  0.820769  0.855034  0.651605  1
  Cu  Cu192  1  0.487436  0.855034  0.651605  1
  Cu  Cu193  1  0.949703  0.004426  0.694817  1
  Cu  Cu194  1  0.616370  0.004426  0.694817  1
  Cu  Cu195  1  0.547172  0.532702  0.683252  1
  Cu  Cu196  1  0.283036  0.004426  0.694817  1
  Cu  Cu197  1  0.213838  0.532702  0.683252  1
  Cu  Cu198  1  0.880505  0.532702  0.683252  1
  Cu  Cu199  1  0.361018  0.267662  0.689106  1
  Cu  Cu200  1  0.027685  0.267662  0.689106  1
  Cu  Cu201  1  0.957771  0.794724  0.676362  1
  Cu  Cu202  1  0.694352  0.267662  0.689106  1
  Cu  Cu203  1  0.624438  0.794724  0.676362  1
  Cu  Cu204  1  0.291104  0.794724  0.676362  1
  Cu  Cu205  1  0.754600  0.945471  0.717593  1
  Cu  Cu206  1  0.421266  0.945471  0.717593  1
  Cu  Cu207  1  0.351296  0.473383  0.706248  1
  Cu  Cu208  1  0.087933  0.945471  0.717593  1
  Cu  Cu209  1  0.017963  0.473383  0.706248  1
  Cu  Cu210  1  0.684629  0.473383  0.706248  1
  Cu  Cu211  1  0.164859  0.209132  0.712198  1
  Cu  Cu212  1  0.831525  0.209132  0.712198  1
  Cu  Cu213  1  0.765106  0.739012  0.701049  1
  Cu  Cu214  1  0.498192  0.209132  0.712198  1
  Cu  Cu215  1  0.431772  0.739012  0.701049  1
  Cu  Cu216  1  0.098439  0.739012  0.701049  1
