# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09940649
_cell_length_b   11.34208371
_cell_length_c   49.88409374
_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   2812.13632384
_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  0.839070  0.840554  0.315512  1
  Cu  Cu2  1  0.524033  0.210338  0.283443  1
  Cu  Cu3  1  0.680388  0.522941  0.298327  1
  Cu  Cu4  1  0.524033  0.710338  0.283443  1
  Cu  Cu5  1  0.680388  0.022941  0.298327  1
  Cu  Cu6  1  0.839070  0.340554  0.315512  1
  Cu  Cu7  1  0.024033  0.710338  0.283443  1
  Cu  Cu8  1  0.180388  0.022941  0.298327  1
  Cu  Cu9  1  0.339070  0.340554  0.315512  1
  Cu  Cu10  1  0.339070  0.840554  0.315512  1
  Cu  Cu11  1  0.024033  0.210338  0.283443  1
  Cu  Cu12  1  0.180388  0.522941  0.298327  1
  Cu  Cu13  1  0.311692  0.786302  0.365032  1
  Cu  Cu14  1  0.995856  0.154310  0.331718  1
  Cu  Cu15  1  0.154276  0.471285  0.348428  1
  Cu  Cu16  1  0.995856  0.654310  0.331718  1
  Cu  Cu17  1  0.154276  0.971285  0.348428  1
  Cu  Cu18  1  0.311692  0.286302  0.365032  1
  Cu  Cu19  1  0.495856  0.654310  0.331718  1
  Cu  Cu20  1  0.654276  0.971285  0.348428  1
  Cu  Cu21  1  0.811692  0.286302  0.365032  1
  Cu  Cu22  1  0.811692  0.786302  0.365032  1
  Cu  Cu23  1  0.495856  0.154310  0.331718  1
  Cu  Cu24  1  0.654276  0.471285  0.348428  1
  Cu  Cu25  1  0.784897  0.733172  0.415217  1
  Cu  Cu26  1  0.469509  0.102080  0.381833  1
  Cu  Cu27  1  0.627129  0.417485  0.398480  1
  Cu  Cu28  1  0.469509  0.602080  0.381833  1
  Cu  Cu29  1  0.627129  0.917485  0.398480  1
  Cu  Cu30  1  0.784897  0.233172  0.415217  1
  Cu  Cu31  1  0.969509  0.602080  0.381833  1
  Cu  Cu32  1  0.127129  0.917485  0.398480  1
  Cu  Cu33  1  0.284897  0.233172  0.415217  1
  Cu  Cu34  1  0.284897  0.733172  0.415217  1
  Cu  Cu35  1  0.969509  0.102080  0.381833  1
  Cu  Cu36  1  0.127129  0.417485  0.398480  1
  Cu  Cu37  1  0.257983  0.679817  0.465332  1
  Cu  Cu38  1  0.942561  0.048660  0.431916  1
  Cu  Cu39  1  0.100287  0.364266  0.448627  1
  Cu  Cu40  1  0.942561  0.548660  0.431916  1
  Cu  Cu41  1  0.100287  0.864266  0.448627  1
  Cu  Cu42  1  0.257983  0.179817  0.465332  1
  Cu  Cu43  1  0.442561  0.548660  0.431916  1
  Cu  Cu44  1  0.600287  0.864266  0.448627  1
  Cu  Cu45  1  0.757983  0.179817  0.465332  1
  Cu  Cu46  1  0.757983  0.679817  0.465332  1
  Cu  Cu47  1  0.442561  0.048660  0.431916  1
  Cu  Cu48  1  0.600287  0.364266  0.448627  1
  Cu  Cu49  1  0.731100  0.626520  0.515455  1
  Cu  Cu50  1  0.415691  0.995389  0.482042  1
  Cu  Cu51  1  0.573395  0.310955  0.498749  1
  Cu  Cu52  1  0.415691  0.495389  0.482042  1
  Cu  Cu53  1  0.573395  0.810955  0.498749  1
  Cu  Cu54  1  0.731100  0.126520  0.515455  1
  Cu  Cu55  1  0.915691  0.495389  0.482042  1
  Cu  Cu56  1  0.073395  0.810955  0.498749  1
  Cu  Cu57  1  0.231100  0.126520  0.515455  1
  Cu  Cu58  1  0.231100  0.626520  0.515455  1
  Cu  Cu59  1  0.915691  0.995389  0.482042  1
  Cu  Cu60  1  0.073395  0.310955  0.498749  1
  Cu  Cu61  1  0.204230  0.573250  0.565581  1
  Cu  Cu62  1  0.888808  0.942092  0.532165  1
  Cu  Cu63  1  0.046504  0.257643  0.548870  1
  Cu  Cu64  1  0.888808  0.442092  0.532165  1
  Cu  Cu65  1  0.046504  0.757643  0.548870  1
  Cu  Cu66  1  0.204230  0.073250  0.565581  1
  Cu  Cu67  1  0.388808  0.442092  0.532165  1
  Cu  Cu68  1  0.546504  0.757643  0.548870  1
  Cu  Cu69  1  0.704230  0.073250  0.565581  1
  Cu  Cu70  1  0.704230  0.573250  0.565581  1
  Cu  Cu71  1  0.388808  0.942092  0.532165  1
  Cu  Cu72  1  0.546504  0.257643  0.548870  1
  Cu  Cu73  1  0.677282  0.519830  0.615664  1
  Cu  Cu74  1  0.361894  0.888738  0.582280  1
  Cu  Cu75  1  0.519662  0.204425  0.599017  1
  Cu  Cu76  1  0.361894  0.388738  0.582280  1
  Cu  Cu77  1  0.519662  0.704425  0.599017  1
  Cu  Cu78  1  0.677282  0.019830  0.615664  1
  Cu  Cu79  1  0.861894  0.388738  0.582280  1
  Cu  Cu80  1  0.019662  0.704425  0.599017  1
  Cu  Cu81  1  0.177282  0.019830  0.615664  1
  Cu  Cu82  1  0.177282  0.519830  0.615664  1
  Cu  Cu83  1  0.861894  0.888738  0.582280  1
  Cu  Cu84  1  0.019662  0.204425  0.599017  1
  Cu  Cu85  1  0.150935  0.467599  0.665779  1
  Cu  Cu86  1  0.835099  0.835608  0.632465  1
  Cu  Cu87  1  0.992515  0.150624  0.649070  1
  Cu  Cu88  1  0.835099  0.335608  0.632465  1
  Cu  Cu89  1  0.992515  0.650624  0.649070  1
  Cu  Cu90  1  0.150935  0.967599  0.665779  1
  Cu  Cu91  1  0.335099  0.335608  0.632465  1
  Cu  Cu92  1  0.492515  0.650624  0.649070  1
  Cu  Cu93  1  0.650935  0.967599  0.665779  1
  Cu  Cu94  1  0.650935  0.467599  0.665779  1
  Cu  Cu95  1  0.335099  0.835608  0.632465  1
  Cu  Cu96  1  0.492515  0.150624  0.649070  1
  Cu  Cu97  1  0.622758  0.411571  0.714054  1
  Cu  Cu98  1  0.307721  0.781355  0.681985  1
  Cu  Cu99  1  0.466403  0.098968  0.699170  1
  Cu  Cu100  1  0.307721  0.281355  0.681985  1
  Cu  Cu101  1  0.466403  0.598968  0.699170  1
  Cu  Cu102  1  0.622758  0.911571  0.714054  1
  Cu  Cu103  1  0.807721  0.281355  0.681985  1
  Cu  Cu104  1  0.966403  0.598968  0.699170  1
  Cu  Cu105  1  0.122758  0.911571  0.714054  1
  Cu  Cu106  1  0.122758  0.411571  0.714054  1
  Cu  Cu107  1  0.807721  0.781355  0.681985  1
  Cu  Cu108  1  0.966403  0.098968  0.699170  1
