# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.98897068
_cell_length_b   9.86577464
_cell_length_c   45.94211524
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.71876740
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu168
_cell_volume   4540.18950393
_cell_formula_units_Z   168
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  0.148226  0.314702  0.307932  1
  Cu  Cu2  1  0.533307  0.334447  0.298294  1
  Cu  Cu3  1  0.919672  0.354420  0.289417  1
  Cu  Cu4  1  0.148226  0.814702  0.307932  1
  Cu  Cu5  1  0.533307  0.834447  0.298294  1
  Cu  Cu6  1  0.919672  0.854420  0.289417  1
  Cu  Cu7  1  0.361965  0.102049  0.291824  1
  Cu  Cu8  1  0.748446  0.119915  0.282259  1
  Cu  Cu9  1  0.975106  0.082005  0.300090  1
  Cu  Cu10  1  0.361965  0.602049  0.291824  1
  Cu  Cu11  1  0.748446  0.619915  0.282259  1
  Cu  Cu12  1  0.975106  0.582005  0.300090  1
  Cu  Cu13  1  0.987042  0.258338  0.340233  1
  Cu  Cu14  1  0.373167  0.280084  0.329223  1
  Cu  Cu15  1  0.759349  0.298793  0.319390  1
  Cu  Cu16  1  0.987042  0.758338  0.340233  1
  Cu  Cu17  1  0.373167  0.780084  0.329223  1
  Cu  Cu18  1  0.759349  0.798793  0.319390  1
  Cu  Cu19  1  0.199687  0.041209  0.319811  1
  Cu  Cu20  1  0.587953  0.058679  0.310420  1
  Cu  Cu21  1  0.812432  0.025057  0.332433  1
  Cu  Cu22  1  0.199687  0.541209  0.319811  1
  Cu  Cu23  1  0.587953  0.558679  0.310420  1
  Cu  Cu24  1  0.812432  0.525057  0.332433  1
  Cu  Cu25  1  0.822446  0.205147  0.371350  1
  Cu  Cu26  1  0.210409  0.222084  0.360216  1
  Cu  Cu27  1  0.597815  0.240706  0.350198  1
  Cu  Cu28  1  0.822446  0.705147  0.371350  1
  Cu  Cu29  1  0.210409  0.722084  0.360216  1
  Cu  Cu30  1  0.597815  0.740706  0.350198  1
  Cu  Cu31  1  0.036064  0.987338  0.351881  1
  Cu  Cu32  1  0.423732  0.006471  0.342430  1
  Cu  Cu33  1  0.647014  0.970199  0.362808  1
  Cu  Cu34  1  0.036064  0.487338  0.351881  1
  Cu  Cu35  1  0.423732  0.506471  0.342430  1
  Cu  Cu36  1  0.647014  0.470199  0.362808  1
  Cu  Cu37  1  0.658886  0.149259  0.402669  1
  Cu  Cu38  1  0.047233  0.166773  0.392263  1
  Cu  Cu39  1  0.433837  0.187194  0.381578  1
  Cu  Cu40  1  0.658886  0.649259  0.402669  1
  Cu  Cu41  1  0.047233  0.666773  0.392263  1
  Cu  Cu42  1  0.433837  0.687194  0.381578  1
  Cu  Cu43  1  0.872406  0.932532  0.383777  1
  Cu  Cu44  1  0.258819  0.951873  0.372709  1
  Cu  Cu45  1  0.483915  0.914275  0.394103  1
  Cu  Cu46  1  0.872406  0.432532  0.383777  1
  Cu  Cu47  1  0.258819  0.451873  0.372709  1
  Cu  Cu48  1  0.483915  0.414275  0.394103  1
  Cu  Cu49  1  0.495195  0.094037  0.434058  1
  Cu  Cu50  1  0.883426  0.112025  0.423694  1
  Cu  Cu51  1  0.271174  0.130566  0.412984  1
  Cu  Cu52  1  0.495195  0.594037  0.434058  1
  Cu  Cu53  1  0.883426  0.612025  0.423694  1
  Cu  Cu54  1  0.271174  0.630566  0.412984  1
  Cu  Cu55  1  0.708231  0.877614  0.415007  1
  Cu  Cu56  1  0.096582  0.895334  0.404243  1
  Cu  Cu57  1  0.320115  0.859395  0.425279  1
  Cu  Cu58  1  0.708231  0.377614  0.415007  1
  Cu  Cu59  1  0.096582  0.395334  0.404243  1
  Cu  Cu60  1  0.320115  0.359395  0.425279  1
  Cu  Cu61  1  0.331741  0.038465  0.465521  1
  Cu  Cu62  1  0.719558  0.056942  0.455087  1
  Cu  Cu63  1  0.107684  0.074966  0.444607  1
  Cu  Cu64  1  0.331741  0.538465  0.465521  1
  Cu  Cu65  1  0.719558  0.556942  0.455087  1
  Cu  Cu66  1  0.107684  0.574966  0.444607  1
  Cu  Cu67  1  0.544487  0.822366  0.446367  1
  Cu  Cu68  1  0.932752  0.840480  0.435910  1
  Cu  Cu69  1  0.156801  0.803696  0.456729  1
  Cu  Cu70  1  0.544487  0.322366  0.446367  1
  Cu  Cu71  1  0.932752  0.340480  0.435910  1
  Cu  Cu72  1  0.156801  0.303696  0.456729  1
  Cu  Cu73  1  0.168129  0.983013  0.496984  1
  Cu  Cu74  1  0.555854  1.001697  0.486519  1
  Cu  Cu75  1  0.943886  0.019915  0.476058  1
  Cu  Cu76  1  0.168129  0.483013  0.496984  1
  Cu  Cu77  1  0.555854  0.501697  0.486519  1
  Cu  Cu78  1  0.943886  0.519915  0.476058  1
  Cu  Cu79  1  0.380818  0.767082  0.477719  1
  Cu  Cu80  1  0.768807  0.785446  0.467289  1
  Cu  Cu81  1  0.993103  0.748487  0.488224  1
  Cu  Cu82  1  0.380818  0.267082  0.477719  1
  Cu  Cu83  1  0.768807  0.285446  0.467289  1
  Cu  Cu84  1  0.993103  0.248487  0.488224  1
  Cu  Cu85  1  0.004325  0.927854  0.528399  1
  Cu  Cu86  1  0.392314  0.946218  0.517969  1
  Cu  Cu87  1  0.780029  0.964813  0.507464  1
  Cu  Cu88  1  0.004325  0.427854  0.528399  1
  Cu  Cu89  1  0.392314  0.446218  0.517969  1
  Cu  Cu90  1  0.780029  0.464813  0.507464  1
  Cu  Cu91  1  0.217278  0.711602  0.509169  1
  Cu  Cu92  1  0.605003  0.730286  0.498704  1
  Cu  Cu93  1  0.829247  0.693384  0.519630  1
  Cu  Cu94  1  0.217278  0.211602  0.509169  1
  Cu  Cu95  1  0.605003  0.230286  0.498704  1
  Cu  Cu96  1  0.829247  0.193384  0.519630  1
  Cu  Cu97  1  0.840380  0.872819  0.559778  1
  Cu  Cu98  1  0.228645  0.890934  0.549321  1
  Cu  Cu99  1  0.616332  0.909603  0.538959  1
  Cu  Cu100  1  0.840380  0.372819  0.559778  1
  Cu  Cu101  1  0.228645  0.390934  0.549321  1
  Cu  Cu102  1  0.616332  0.409603  0.538959  1
  Cu  Cu103  1  0.053574  0.656357  0.540601  1
  Cu  Cu104  1  0.441392  0.674835  0.530167  1
  Cu  Cu105  1  0.665449  0.638334  0.551081  1
  Cu  Cu106  1  0.053574  0.156357  0.540601  1
  Cu  Cu107  1  0.441392  0.174835  0.530167  1
  Cu  Cu108  1  0.665449  0.138334  0.551081  1
  Cu  Cu109  1  0.676550  0.817965  0.591445  1
  Cu  Cu110  1  0.064901  0.835686  0.580681  1
  Cu  Cu111  1  0.453017  0.853905  0.570409  1
  Cu  Cu112  1  0.676550  0.317965  0.591445  1
  Cu  Cu113  1  0.064901  0.335686  0.580681  1
  Cu  Cu114  1  0.453017  0.353905  0.570409  1
  Cu  Cu115  1  0.889706  0.601275  0.571994  1
  Cu  Cu116  1  0.277937  0.619262  0.561630  1
  Cu  Cu117  1  0.501958  0.582733  0.582704  1
  Cu  Cu118  1  0.889706  0.101275  0.571994  1
  Cu  Cu119  1  0.277937  0.119262  0.561630  1
  Cu  Cu120  1  0.501958  0.082733  0.582704  1
  Cu  Cu121  1  0.514313  0.761426  0.622979  1
  Cu  Cu122  1  0.900726  0.780767  0.611911  1
  Cu  Cu123  1  0.289217  0.799025  0.601585  1
  Cu  Cu124  1  0.514313  0.261426  0.622979  1
  Cu  Cu125  1  0.900726  0.280767  0.611911  1
  Cu  Cu126  1  0.289217  0.299025  0.601585  1
  Cu  Cu127  1  0.725900  0.546526  0.603425  1
  Cu  Cu128  1  0.114246  0.564040  0.593019  1
  Cu  Cu129  1  0.339296  0.526106  0.614110  1
  Cu  Cu130  1  0.725900  0.046526  0.603425  1
  Cu  Cu131  1  0.114246  0.064040  0.593019  1
  Cu  Cu132  1  0.339296  0.026106  0.614110  1
  Cu  Cu133  1  0.349400  0.706828  0.653258  1
  Cu  Cu134  1  0.737068  0.725962  0.643807  1
  Cu  Cu135  1  0.126118  0.743101  0.632880  1
  Cu  Cu136  1  0.349400  0.206828  0.653258  1
  Cu  Cu137  1  0.737068  0.225962  0.643807  1
  Cu  Cu138  1  0.126118  0.243101  0.632880  1
  Cu  Cu139  1  0.562723  0.491215  0.635472  1
  Cu  Cu140  1  0.950687  0.508153  0.624338  1
  Cu  Cu141  1  0.175318  0.472594  0.645490  1
  Cu  Cu142  1  0.562723  0.991215  0.635472  1
  Cu  Cu143  1  0.950687  0.008153  0.624338  1
  Cu  Cu144  1  0.175318  0.972594  0.645490  1
  Cu  Cu145  1  0.185179  0.654620  0.685268  1
  Cu  Cu146  1  0.573445  0.672090  0.675877  1
  Cu  Cu147  1  0.960700  0.688243  0.663255  1
  Cu  Cu148  1  0.185179  0.154620  0.685268  1
  Cu  Cu149  1  0.573445  0.172090  0.675877  1
  Cu  Cu150  1  0.960700  0.188243  0.663255  1
  Cu  Cu151  1  0.399966  0.433216  0.666465  1
  Cu  Cu152  1  0.786090  0.454961  0.655454  1
  Cu  Cu153  1  0.013784  0.414506  0.676298  1
  Cu  Cu154  1  0.399966  0.933216  0.666465  1
  Cu  Cu155  1  0.786090  0.954961  0.655454  1
  Cu  Cu156  1  0.013784  0.914506  0.676298  1
  Cu  Cu157  1  0.024686  0.593385  0.713429  1
  Cu  Cu158  1  0.411167  0.611250  0.703864  1
  Cu  Cu159  1  0.798026  0.631295  0.695598  1
  Cu  Cu160  1  0.024686  0.093385  0.713429  1
  Cu  Cu161  1  0.411167  0.111250  0.703864  1
  Cu  Cu162  1  0.798026  0.131295  0.695598  1
  Cu  Cu163  1  0.239825  0.378853  0.697394  1
  Cu  Cu164  1  0.624906  0.398597  0.687756  1
  Cu  Cu165  1  0.853460  0.358879  0.706271  1
  Cu  Cu166  1  0.239825  0.878853  0.697394  1
  Cu  Cu167  1  0.624906  0.898597  0.687756  1
  Cu  Cu168  1  0.853460  0.858879  0.706271  1
