# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09938734
_cell_length_b   11.34210618
_cell_length_c   49.88460720
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu108
_cell_volume   2812.1602764
_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  0.190699  0.877003  0.283440  1
  Cu  Cu2  1  0.347054  0.189606  0.298324  1
  Cu  Cu3  1  0.505737  0.507219  0.315509  1
  Cu  Cu4  1  0.347054  0.689606  0.298324  1
  Cu  Cu5  1  0.505737  0.007219  0.315509  1
  Cu  Cu6  1  0.190699  0.377003  0.283440  1
  Cu  Cu7  1  0.847054  0.689606  0.298324  1
  Cu  Cu8  1  0.005737  0.007219  0.315509  1
  Cu  Cu9  1  0.690699  0.377003  0.283440  1
  Cu  Cu10  1  0.690699  0.877003  0.283440  1
  Cu  Cu11  1  0.847054  0.189606  0.298324  1
  Cu  Cu12  1  0.005737  0.507219  0.315509  1
  Cu  Cu13  1  0.662523  0.820975  0.331715  1
  Cu  Cu14  1  0.820943  0.137950  0.348424  1
  Cu  Cu15  1  0.978359  0.452967  0.365029  1
  Cu  Cu16  1  0.820943  0.637950  0.348424  1
  Cu  Cu17  1  0.978359  0.952967  0.365029  1
  Cu  Cu18  1  0.662523  0.320975  0.331715  1
  Cu  Cu19  1  0.320943  0.637950  0.348424  1
  Cu  Cu20  1  0.478359  0.952967  0.365029  1
  Cu  Cu21  1  0.162523  0.320975  0.331715  1
  Cu  Cu22  1  0.162523  0.820975  0.331715  1
  Cu  Cu23  1  0.320943  0.137950  0.348424  1
  Cu  Cu24  1  0.478359  0.452967  0.365029  1
  Cu  Cu25  1  0.136176  0.768745  0.381829  1
  Cu  Cu26  1  0.293796  0.084150  0.398476  1
  Cu  Cu27  1  0.451564  0.399837  0.415212  1
  Cu  Cu28  1  0.293796  0.584150  0.398476  1
  Cu  Cu29  1  0.451564  0.899837  0.415212  1
  Cu  Cu30  1  0.136176  0.268745  0.381829  1
  Cu  Cu31  1  0.793796  0.584150  0.398476  1
  Cu  Cu32  1  0.951564  0.899837  0.415212  1
  Cu  Cu33  1  0.636176  0.268745  0.381829  1
  Cu  Cu34  1  0.636176  0.768745  0.381829  1
  Cu  Cu35  1  0.793796  0.084150  0.398476  1
  Cu  Cu36  1  0.951564  0.399837  0.415212  1
  Cu  Cu37  1  0.609228  0.715325  0.431912  1
  Cu  Cu38  1  0.766955  0.030932  0.448622  1
  Cu  Cu39  1  0.924651  0.346483  0.465327  1
  Cu  Cu40  1  0.766955  0.530932  0.448622  1
  Cu  Cu41  1  0.924651  0.846483  0.465327  1
  Cu  Cu42  1  0.609228  0.215325  0.431912  1
  Cu  Cu43  1  0.266955  0.530932  0.448622  1
  Cu  Cu44  1  0.424651  0.846483  0.465327  1
  Cu  Cu45  1  0.109228  0.215325  0.431912  1
  Cu  Cu46  1  0.109228  0.715325  0.431912  1
  Cu  Cu47  1  0.266955  0.030932  0.448622  1
  Cu  Cu48  1  0.424651  0.346483  0.465327  1
  Cu  Cu49  1  0.082359  0.662055  0.482037  1
  Cu  Cu50  1  0.240064  0.977620  0.498743  1
  Cu  Cu51  1  0.397768  0.293186  0.515450  1
  Cu  Cu52  1  0.240064  0.477620  0.498743  1
  Cu  Cu53  1  0.397768  0.793186  0.515450  1
  Cu  Cu54  1  0.082359  0.162055  0.482037  1
  Cu  Cu55  1  0.740064  0.477620  0.498743  1
  Cu  Cu56  1  0.897768  0.793186  0.515450  1
  Cu  Cu57  1  0.582359  0.162055  0.482037  1
  Cu  Cu58  1  0.582359  0.662055  0.482037  1
  Cu  Cu59  1  0.740064  0.977620  0.498743  1
  Cu  Cu60  1  0.897768  0.293186  0.515450  1
  Cu  Cu61  1  0.555476  0.608758  0.532160  1
  Cu  Cu62  1  0.713173  0.924309  0.548865  1
  Cu  Cu63  1  0.870899  0.239916  0.565575  1
  Cu  Cu64  1  0.713173  0.424309  0.548865  1
  Cu  Cu65  1  0.870899  0.739916  0.565575  1
  Cu  Cu66  1  0.555476  0.108758  0.532160  1
  Cu  Cu67  1  0.213173  0.424309  0.548865  1
  Cu  Cu68  1  0.370899  0.739916  0.565575  1
  Cu  Cu69  1  0.055476  0.108758  0.532160  1
  Cu  Cu70  1  0.055476  0.608758  0.532160  1
  Cu  Cu71  1  0.213173  0.924309  0.548865  1
  Cu  Cu72  1  0.370899  0.239916  0.565575  1
  Cu  Cu73  1  0.028563  0.555404  0.582275  1
  Cu  Cu74  1  0.186331  0.871091  0.599011  1
  Cu  Cu75  1  0.343951  0.186496  0.615658  1
  Cu  Cu76  1  0.186331  0.371091  0.599011  1
  Cu  Cu77  1  0.343951  0.686496  0.615658  1
  Cu  Cu78  1  0.028563  0.055404  0.582275  1
  Cu  Cu79  1  0.686331  0.371091  0.599011  1
  Cu  Cu80  1  0.843951  0.686496  0.615658  1
  Cu  Cu81  1  0.528563  0.055404  0.582275  1
  Cu  Cu82  1  0.528563  0.555404  0.582275  1
  Cu  Cu83  1  0.686331  0.871091  0.599011  1
  Cu  Cu84  1  0.843951  0.186496  0.615658  1
  Cu  Cu85  1  0.501768  0.502274  0.632458  1
  Cu  Cu86  1  0.659184  0.817291  0.649063  1
  Cu  Cu87  1  0.817604  0.134266  0.665772  1
  Cu  Cu88  1  0.659184  0.317291  0.649063  1
  Cu  Cu89  1  0.817604  0.634266  0.665772  1
  Cu  Cu90  1  0.501768  1.002274  0.632458  1
  Cu  Cu91  1  0.159184  0.317291  0.649063  1
  Cu  Cu92  1  0.317604  0.634266  0.665772  1
  Cu  Cu93  1  1.001768  1.002274  0.632458  1
  Cu  Cu94  1  1.001768  0.502274  0.632458  1
  Cu  Cu95  1  0.159184  0.817291  0.649063  1
  Cu  Cu96  1  0.317604  0.134266  0.665772  1
  Cu  Cu97  1  0.974391  0.448022  0.681978  1
  Cu  Cu98  1  0.133073  0.765635  0.699162  1
  Cu  Cu99  1  0.289428  0.078238  0.714047  1
  Cu  Cu100  1  0.133073  0.265635  0.699162  1
  Cu  Cu101  1  0.289428  0.578238  0.714047  1
  Cu  Cu102  1  0.974391  0.948022  0.681978  1
  Cu  Cu103  1  0.633073  0.265635  0.699162  1
  Cu  Cu104  1  0.789428  0.578238  0.714047  1
  Cu  Cu105  1  0.474391  0.948022  0.681978  1
  Cu  Cu106  1  0.474391  0.448022  0.681978  1
  Cu  Cu107  1  0.633073  0.765635  0.699162  1
  Cu  Cu108  1  0.789428  0.078238  0.714047  1
