# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.99702641
_cell_length_b   6.46801265
_cell_length_c   48.77900458
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu108
_cell_volume   2523.08756969
_cell_formula_units_Z   108
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  1.001939  0.249579  0.293140  1
  Cu  Cu2  1  1.002883  0.894646  0.309662  1
  Cu  Cu3  1  0.005071  0.609561  0.279230  1
  Cu  Cu4  1  0.753150  0.029463  0.288373  1
  Cu  Cu5  1  0.753150  0.672995  0.303600  1
  Cu  Cu6  1  0.753150  0.320038  0.319274  1
  Cu  Cu7  1  0.504361  0.249579  0.293140  1
  Cu  Cu8  1  0.503417  0.894646  0.309662  1
  Cu  Cu9  1  0.501229  0.609561  0.279230  1
  Cu  Cu10  1  0.253150  0.110706  0.314798  1
  Cu  Cu11  1  0.253150  0.821289  0.283544  1
  Cu  Cu12  1  0.253150  0.463259  0.298524  1
  Cu  Cu13  1  1.002333  0.178850  0.342363  1
  Cu  Cu14  1  0.003157  0.821686  0.359211  1
  Cu  Cu15  1  0.004106  0.534808  0.326542  1
  Cu  Cu16  1  0.753150  0.961282  0.336817  1
  Cu  Cu17  1  0.753150  0.603999  0.353298  1
  Cu  Cu18  1  0.753150  0.247421  0.369791  1
  Cu  Cu19  1  0.503967  0.178850  0.342363  1
  Cu  Cu20  1  0.503143  0.821686  0.359211  1
  Cu  Cu21  1  0.502194  0.534808  0.326542  1
  Cu  Cu22  1  0.253150  0.038173  0.364731  1
  Cu  Cu23  1  0.253150  0.750727  0.331570  1
  Cu  Cu24  1  0.253150  0.394015  0.348282  1
  Cu  Cu25  1  1.003131  0.106890  0.392546  1
  Cu  Cu26  1  0.003172  0.749695  0.409372  1
  Cu  Cu27  1  0.003187  0.463875  0.376065  1
  Cu  Cu28  1  0.753150  0.889582  0.386815  1
  Cu  Cu29  1  0.753150  0.532130  0.403524  1
  Cu  Cu30  1  0.753150  0.174995  0.420162  1
  Cu  Cu31  1  0.503169  0.106890  0.392546  1
  Cu  Cu32  1  0.503128  0.749695  0.409372  1
  Cu  Cu33  1  0.503113  0.463875  0.376065  1
  Cu  Cu34  1  0.253150  0.966974  0.415092  1
  Cu  Cu35  1  0.253150  0.681066  0.381662  1
  Cu  Cu36  1  0.253150  0.323725  0.398457  1
  Cu  Cu37  1  0.003153  0.035139  0.442778  1
  Cu  Cu38  1  0.003164  0.677861  0.459545  1
  Cu  Cu39  1  0.003171  0.392240  0.426126  1
  Cu  Cu40  1  0.753150  0.817614  0.436988  1
  Cu  Cu41  1  0.753150  0.460249  0.453714  1
  Cu  Cu42  1  0.753150  0.103063  0.470405  1
  Cu  Cu43  1  0.503147  0.035139  0.442778  1
  Cu  Cu44  1  0.503136  0.677861  0.459545  1
  Cu  Cu45  1  0.503130  0.392240  0.426126  1
  Cu  Cu46  1  0.253150  0.895414  0.465340  1
  Cu  Cu47  1  0.253150  0.609769  0.431884  1
  Cu  Cu48  1  0.253150  0.252487  0.448648  1
  Cu  Cu49  1  0.003163  0.963376  0.492989  1
  Cu  Cu50  1  0.003170  0.606091  0.509734  1
  Cu  Cu51  1  0.003164  0.320546  0.476292  1
  Cu  Cu52  1  0.753150  0.745751  0.487168  1
  Cu  Cu53  1  0.753150  0.388455  0.503907  1
  Cu  Cu54  1  0.753150  0.031294  0.520598  1
  Cu  Cu55  1  0.503137  0.963376  0.492989  1
  Cu  Cu56  1  0.503130  0.606091  0.509734  1
  Cu  Cu57  1  0.503136  0.320546  0.476292  1
  Cu  Cu58  1  0.253150  0.823762  0.515555  1
  Cu  Cu59  1  0.253150  0.538175  0.482091  1
  Cu  Cu60  1  0.253150  0.180910  0.498852  1
  Cu  Cu61  1  0.003181  0.891666  0.543190  1
  Cu  Cu62  1  0.003188  0.534360  0.559929  1
  Cu  Cu63  1  0.003166  0.248801  0.526500  1
  Cu  Cu64  1  0.753150  0.673972  0.537344  1
  Cu  Cu65  1  0.753150  0.316733  0.554107  1
  Cu  Cu66  1  0.753150  0.959693  0.570736  1
  Cu  Cu67  1  0.503119  0.891666  0.543190  1
  Cu  Cu68  1  0.503112  0.534360  0.559929  1
  Cu  Cu69  1  0.503134  0.248801  0.526500  1
  Cu  Cu70  1  0.253150  0.752129  0.565749  1
  Cu  Cu71  1  0.253150  0.466488  0.532287  1
  Cu  Cu72  1  0.253150  0.109224  0.549076  1
  Cu  Cu73  1  0.003246  0.820127  0.593392  1
  Cu  Cu74  1  0.003240  0.462602  0.610114  1
  Cu  Cu75  1  0.003153  0.177000  0.576756  1
  Cu  Cu76  1  0.753150  0.602356  0.587507  1
  Cu  Cu77  1  0.753150  0.245236  0.604319  1
  Cu  Cu78  1  0.753150  0.888837  0.620742  1
  Cu  Cu79  1  0.503054  0.820127  0.593392  1
  Cu  Cu80  1  0.503060  0.462602  0.610114  1
  Cu  Cu81  1  0.503147  0.177000  0.576756  1
  Cu  Cu82  1  0.253150  0.680302  0.615869  1
  Cu  Cu83  1  0.253150  0.394680  0.582465  1
  Cu  Cu84  1  0.253150  0.037534  0.599346  1
  Cu  Cu85  1  0.003773  0.748551  0.643568  1
  Cu  Cu86  1  0.003671  0.392204  0.660185  1
  Cu  Cu87  1  1.003066  0.105301  0.627168  1
  Cu  Cu88  1  0.753150  0.530948  0.637638  1
  Cu  Cu89  1  0.753150  0.175584  0.654561  1
  Cu  Cu90  1  0.753150  0.818414  0.669903  1
  Cu  Cu91  1  0.502527  0.748551  0.643568  1
  Cu  Cu92  1  0.502629  0.392204  0.660185  1
  Cu  Cu93  1  0.503234  0.105301  0.627168  1
  Cu  Cu94  1  0.253150  0.608850  0.665680  1
  Cu  Cu95  1  0.253150  0.322549  0.632645  1
  Cu  Cu96  1  0.253150  0.965235  0.649596  1
  Cu  Cu97  1  0.004590  0.679513  0.693333  1
  Cu  Cu98  1  1.002144  0.322222  0.708383  1
  Cu  Cu99  1  1.001844  0.032545  0.677347  1
  Cu  Cu100  1  0.753150  0.460860  0.687376  1
  Cu  Cu101  1  0.753150  0.105556  0.703568  1
  Cu  Cu102  1  0.753150  0.751930  0.717014  1
  Cu  Cu103  1  0.501710  0.679513  0.693333  1
  Cu  Cu104  1  0.504156  0.322222  0.708383  1
  Cu  Cu105  1  0.504456  0.032545  0.677347  1
  Cu  Cu106  1  0.253150  0.530910  0.713150  1
  Cu  Cu107  1  0.253150  0.248927  0.682254  1
  Cu  Cu108  1  0.253150  0.895481  0.699019  1
