# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71862326
_cell_length_b   13.69547743
_cell_length_c   47.77963687
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.65690498
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu204
_cell_volume   5405.36175057
_cell_formula_units_Z   204
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  0.642450  0.701107  0.293864  1
  Cu  Cu2  1  0.142450  0.701107  0.293864  1
  Cu  Cu3  1  0.062705  0.042110  0.286612  1
  Cu  Cu4  1  0.491759  0.384670  0.279525  1
  Cu  Cu5  1  0.562705  0.042110  0.286612  1
  Cu  Cu6  1  0.991759  0.384670  0.279525  1
  Cu  Cu7  1  0.741141  0.542211  0.286598  1
  Cu  Cu8  1  0.241141  0.542211  0.286598  1
  Cu  Cu9  1  0.154245  0.884522  0.279553  1
  Cu  Cu10  1  0.320294  0.201153  0.293888  1
  Cu  Cu11  1  0.654245  0.884522  0.279553  1
  Cu  Cu12  1  0.820294  0.201153  0.293888  1
  Cu  Cu13  1  0.386712  0.684435  0.319955  1
  Cu  Cu14  1  0.886712  0.684435  0.319955  1
  Cu  Cu15  1  0.806164  0.023037  0.312208  1
  Cu  Cu16  1  0.227724  0.360094  0.303126  1
  Cu  Cu17  1  0.306164  0.023037  0.312208  1
  Cu  Cu18  1  0.727724  0.360094  0.303126  1
  Cu  Cu19  1  0.478428  0.523023  0.312202  1
  Cu  Cu20  1  0.978428  0.523023  0.312202  1
  Cu  Cu21  1  0.893765  0.860117  0.303174  1
  Cu  Cu22  1  0.059255  0.184380  0.319968  1
  Cu  Cu23  1  0.393765  0.860117  0.303174  1
  Cu  Cu24  1  0.559255  0.184380  0.319968  1
  Cu  Cu25  1  0.128310  0.664708  0.346593  1
  Cu  Cu26  1  0.628310  0.664708  0.346593  1
  Cu  Cu27  1  0.546625  0.003281  0.338230  1
  Cu  Cu28  1  0.968423  0.343139  0.330288  1
  Cu  Cu29  1  0.046625  0.003281  0.338230  1
  Cu  Cu30  1  0.468423  0.343139  0.330288  1
  Cu  Cu31  1  0.218191  0.503280  0.338215  1
  Cu  Cu32  1  0.718191  0.503280  0.338215  1
  Cu  Cu33  1  0.636158  0.843126  0.330318  1
  Cu  Cu34  1  0.797895  0.164689  0.346610  1
  Cu  Cu35  1  0.136158  0.843126  0.330318  1
  Cu  Cu36  1  0.297895  0.164689  0.346610  1
  Cu  Cu37  1  0.868973  0.646070  0.372754  1
  Cu  Cu38  1  0.368973  0.646070  0.372754  1
  Cu  Cu39  1  0.288079  0.985721  0.364495  1
  Cu  Cu40  1  0.709397  0.325031  0.355806  1
  Cu  Cu41  1  0.788079  0.985721  0.364495  1
  Cu  Cu42  1  0.209397  0.325031  0.355806  1
  Cu  Cu43  1  0.959132  0.485716  0.364488  1
  Cu  Cu44  1  0.459132  0.485716  0.364488  1
  Cu  Cu45  1  0.377056  0.825014  0.355840  1
  Cu  Cu46  1  0.538565  0.146069  0.372771  1
  Cu  Cu47  1  0.877056  0.825014  0.355840  1
  Cu  Cu48  1  0.038565  0.146069  0.372771  1
  Cu  Cu49  1  0.609694  0.627287  0.399432  1
  Cu  Cu50  1  0.109694  0.627287  0.399432  1
  Cu  Cu51  1  0.028743  0.966799  0.390869  1
  Cu  Cu52  1  0.449499  0.306071  0.382355  1
  Cu  Cu53  1  0.528743  0.966799  0.390869  1
  Cu  Cu54  1  0.949499  0.306071  0.382355  1
  Cu  Cu55  1  0.699505  0.466794  0.390861  1
  Cu  Cu56  1  0.199505  0.466794  0.390861  1
  Cu  Cu57  1  0.117980  0.806055  0.382382  1
  Cu  Cu58  1  0.279023  0.127279  0.399450  1
  Cu  Cu59  1  0.617980  0.806055  0.382382  1
  Cu  Cu60  1  0.779023  0.127279  0.399450  1
  Cu  Cu61  1  0.350413  0.608668  0.425801  1
  Cu  Cu62  1  0.850413  0.608668  0.425801  1
  Cu  Cu63  1  0.769541  0.948090  0.417236  1
  Cu  Cu64  1  0.189899  0.287456  0.408502  1
  Cu  Cu65  1  0.269541  0.948090  0.417236  1
  Cu  Cu66  1  0.689899  0.287456  0.408502  1
  Cu  Cu67  1  0.439961  0.448085  0.417231  1
  Cu  Cu68  1  0.939961  0.448085  0.417231  1
  Cu  Cu69  1  0.858943  0.787436  0.408528  1
  Cu  Cu70  1  0.019654  0.108660  0.425819  1
  Cu  Cu71  1  0.358943  0.787436  0.408528  1
  Cu  Cu72  1  0.519654  0.108660  0.425819  1
  Cu  Cu73  1  0.091012  0.589924  0.452271  1
  Cu  Cu74  1  0.591012  0.589924  0.452271  1
  Cu  Cu75  1  0.510228  0.929416  0.443605  1
  Cu  Cu76  1  0.930485  0.268876  0.434950  1
  Cu  Cu77  1  0.010228  0.929416  0.443605  1
  Cu  Cu78  1  0.430485  0.268876  0.434950  1
  Cu  Cu79  1  0.180567  0.429412  0.443601  1
  Cu  Cu80  1  0.680567  0.429412  0.443601  1
  Cu  Cu81  1  0.599756  0.768861  0.434974  1
  Cu  Cu82  1  0.760278  0.089914  0.452290  1
  Cu  Cu83  1  0.099756  0.768861  0.434974  1
  Cu  Cu84  1  0.260278  0.089914  0.452290  1
  Cu  Cu85  1  0.831647  0.571297  0.478661  1
  Cu  Cu86  1  0.331647  0.571297  0.478661  1
  Cu  Cu87  1  0.250966  0.910781  0.469993  1
  Cu  Cu88  1  0.671117  0.250245  0.461266  1
  Cu  Cu89  1  0.750966  0.910781  0.469993  1
  Cu  Cu90  1  0.171117  0.250245  0.461266  1
  Cu  Cu91  1  0.921162  0.410778  0.469991  1
  Cu  Cu92  1  0.421162  0.410778  0.469991  1
  Cu  Cu93  1  0.340466  0.750230  0.461288  1
  Cu  Cu94  1  0.500985  0.071286  0.478681  1
  Cu  Cu95  1  0.840466  0.750230  0.461288  1
  Cu  Cu96  1  1.000985  0.071286  0.478681  1
  Cu  Cu97  1  0.572293  0.552642  0.505055  1
  Cu  Cu98  1  0.072293  0.552642  0.505055  1
  Cu  Cu99  1  0.991626  0.892118  0.496371  1
  Cu  Cu100  1  0.411774  0.231601  0.487663  1
  Cu  Cu101  1  0.491626  0.892118  0.496371  1
  Cu  Cu102  1  0.911774  0.231601  0.487663  1
  Cu  Cu103  1  0.661803  0.392112  0.496368  1
  Cu  Cu104  1  0.161803  0.392112  0.496368  1
  Cu  Cu105  1  0.081137  0.731588  0.487684  1
  Cu  Cu106  1  0.241655  0.052629  0.505076  1
  Cu  Cu107  1  0.581137  0.731588  0.487684  1
  Cu  Cu108  1  0.741655  0.052629  0.505076  1
  Cu  Cu109  1  0.312963  0.534000  0.531451  1
  Cu  Cu110  1  0.812963  0.534000  0.531451  1
  Cu  Cu111  1  0.732268  0.873452  0.522748  1
  Cu  Cu112  1  0.152444  0.212944  0.514057  1
  Cu  Cu113  1  0.232268  0.873452  0.522748  1
  Cu  Cu114  1  0.652444  0.212944  0.514057  1
  Cu  Cu115  1  0.402464  0.373449  0.522745  1
  Cu  Cu116  1  0.902464  0.373449  0.522745  1
  Cu  Cu117  1  0.821782  0.712934  0.514077  1
  Cu  Cu118  1  0.982313  0.033985  0.531473  1
  Cu  Cu119  1  0.321782  0.712934  0.514077  1
  Cu  Cu120  1  0.482313  0.033985  0.531473  1
  Cu  Cu121  1  0.053673  0.515369  0.557765  1
  Cu  Cu122  1  0.553673  0.515369  0.557765  1
  Cu  Cu123  1  0.472862  0.854818  0.549138  1
  Cu  Cu124  1  0.893152  0.194316  0.540448  1
  Cu  Cu125  1  0.972862  0.854818  0.549138  1
  Cu  Cu126  1  0.393152  0.194316  0.540448  1
  Cu  Cu127  1  0.143202  0.354814  0.549134  1
  Cu  Cu128  1  0.643202  0.354814  0.549134  1
  Cu  Cu129  1  0.562417  0.694306  0.540467  1
  Cu  Cu130  1  0.722945  0.015354  0.557789  1
  Cu  Cu131  1  0.062417  0.694306  0.540467  1
  Cu  Cu132  1  0.222945  0.015354  0.557789  1
  Cu  Cu133  1  0.794487  0.496794  0.584211  1
  Cu  Cu134  1  0.294487  0.496794  0.584211  1
  Cu  Cu135  1  0.213468  0.836145  0.575507  1
  Cu  Cu136  1  0.633776  0.175570  0.566920  1
  Cu  Cu137  1  0.713468  0.836145  0.575507  1
  Cu  Cu138  1  0.133776  0.175570  0.566920  1
  Cu  Cu139  1  0.883888  0.336140  0.575502  1
  Cu  Cu140  1  0.383888  0.336140  0.575502  1
  Cu  Cu141  1  0.303017  0.675563  0.566938  1
  Cu  Cu142  1  0.463530  0.996774  0.584237  1
  Cu  Cu143  1  0.803017  0.675563  0.566938  1
  Cu  Cu144  1  0.963530  0.996774  0.584237  1
  Cu  Cu145  1  0.535449  0.478175  0.610356  1
  Cu  Cu146  1  0.035449  0.478175  0.610356  1
  Cu  Cu147  1  0.953925  0.817436  0.601877  1
  Cu  Cu148  1  0.374406  0.156951  0.593289  1
  Cu  Cu149  1  0.453925  0.817436  0.601877  1
  Cu  Cu150  1  0.874406  0.156951  0.593289  1
  Cu  Cu151  1  0.624687  0.317431  0.601869  1
  Cu  Cu152  1  0.124687  0.317431  0.601869  1
  Cu  Cu153  1  0.043735  0.656943  0.593306  1
  Cu  Cu154  1  0.203931  0.978159  0.610384  1
  Cu  Cu155  1  0.543735  0.656943  0.593306  1
  Cu  Cu156  1  0.703931  0.978159  0.610384  1
  Cu  Cu157  1  0.276373  0.459217  0.636898  1
  Cu  Cu158  1  0.776373  0.459217  0.636898  1
  Cu  Cu159  1  0.694298  0.798514  0.628251  1
  Cu  Cu160  1  0.114865  0.138161  0.619967  1
  Cu  Cu161  1  0.194298  0.798514  0.628251  1
  Cu  Cu162  1  0.614865  0.138161  0.619967  1
  Cu  Cu163  1  0.365350  0.298509  0.628243  1
  Cu  Cu164  1  0.865350  0.298509  0.628243  1
  Cu  Cu165  1  0.784457  0.638160  0.619985  1
  Cu  Cu166  1  0.944032  0.959199  0.636932  1
  Cu  Cu167  1  0.284457  0.638160  0.619985  1
  Cu  Cu168  1  0.444032  0.959199  0.636932  1
  Cu  Cu169  1  0.017272  0.441104  0.662420  1
  Cu  Cu170  1  0.517272  0.441104  0.662420  1
  Cu  Cu171  1  0.435239  0.780950  0.654524  1
  Cu  Cu172  1  0.855535  0.119541  0.646129  1
  Cu  Cu173  1  0.935239  0.780950  0.654524  1
  Cu  Cu174  1  0.355535  0.119541  0.646129  1
  Cu  Cu175  1  0.106804  0.280949  0.654509  1
  Cu  Cu176  1  0.606804  0.280949  0.654509  1
  Cu  Cu177  1  0.525120  0.619522  0.646146  1
  Cu  Cu178  1  0.685007  0.941091  0.662451  1
  Cu  Cu179  1  0.025120  0.619522  0.646146  1
  Cu  Cu180  1  0.185007  0.941091  0.662451  1
  Cu  Cu181  1  0.759665  0.424113  0.689564  1
  Cu  Cu182  1  0.259665  0.424113  0.689564  1
  Cu  Cu183  1  0.175002  0.761207  0.680536  1
  Cu  Cu184  1  0.594174  0.099850  0.672770  1
  Cu  Cu185  1  0.675002  0.761207  0.680536  1
  Cu  Cu186  1  0.094174  0.099850  0.672770  1
  Cu  Cu187  1  0.847265  0.261193  0.680530  1
  Cu  Cu188  1  0.347265  0.261193  0.680530  1
  Cu  Cu189  1  0.266717  0.599795  0.672784  1
  Cu  Cu190  1  0.425705  0.924137  0.689612  1
  Cu  Cu191  1  0.766717  0.599795  0.672784  1
  Cu  Cu192  1  0.925705  0.924137  0.689612  1
  Cu  Cu193  1  0.499185  0.399708  0.713185  1
  Cu  Cu194  1  0.999185  0.399708  0.713185  1
  Cu  Cu195  1  0.912288  0.742019  0.706140  1
  Cu  Cu196  1  0.333135  0.083077  0.698850  1
  Cu  Cu197  1  0.412288  0.742019  0.706140  1
  Cu  Cu198  1  0.833135  0.083077  0.698850  1
  Cu  Cu199  1  0.590725  0.242120  0.706126  1
  Cu  Cu200  1  0.090725  0.242120  0.706126  1
  Cu  Cu201  1  0.010980  0.583123  0.698874  1
  Cu  Cu202  1  0.161670  0.899560  0.713213  1
  Cu  Cu203  1  0.510980  0.583123  0.698874  1
  Cu  Cu204  1  0.661670  0.899560  0.713213  1
