# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72715328
_cell_length_b   8.70366127
_cell_length_c   48.25198080
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.17262798
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu108
_cell_volume   2820.86501028
_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  0.399144  0.999766  0.299791  1
  Cu  Cu2  1  0.753243  0.971881  0.316610  1
  Cu  Cu3  1  0.044066  0.026227  0.284609  1
  Cu  Cu4  1  0.599763  0.780193  0.282658  1
  Cu  Cu5  1  0.958836  0.750590  0.298043  1
  Cu  Cu6  1  0.309923  0.726743  0.315388  1
  Cu  Cu7  1  0.363210  0.544378  0.276776  1
  Cu  Cu8  1  0.718423  0.513109  0.291815  1
  Cu  Cu9  1  0.074288  0.482930  0.308165  1
  Cu  Cu10  1  0.479455  0.276626  0.285677  1
  Cu  Cu11  1  0.836892  0.244573  0.301031  1
  Cu  Cu12  1  0.194085  0.220000  0.318240  1
  Cu  Cu13  1  0.464383  0.917494  0.350045  1
  Cu  Cu14  1  0.818966  0.889066  0.366759  1
  Cu  Cu15  1  0.108385  0.944515  0.333658  1
  Cu  Cu16  1  0.666229  0.697069  0.331773  1
  Cu  Cu17  1  0.019846  0.668675  0.348307  1
  Cu  Cu18  1  0.374942  0.642629  0.365327  1
  Cu  Cu19  1  0.430783  0.459463  0.325591  1
  Cu  Cu20  1  0.786112  0.429612  0.341546  1
  Cu  Cu21  1  0.140874  0.403195  0.358487  1
  Cu  Cu22  1  0.550566  0.192223  0.335003  1
  Cu  Cu23  1  0.906458  0.164311  0.351426  1
  Cu  Cu24  1  0.262439  0.137131  0.368308  1
  Cu  Cu25  1  0.529650  0.834191  0.400156  1
  Cu  Cu26  1  0.884556  0.806407  0.416814  1
  Cu  Cu27  1  0.174237  0.861557  0.383465  1
  Cu  Cu28  1  0.730113  0.613950  0.381815  1
  Cu  Cu29  1  0.084856  0.586700  0.398580  1
  Cu  Cu30  1  0.440151  0.559172  0.415319  1
  Cu  Cu31  1  0.496557  0.375575  0.375264  1
  Cu  Cu32  1  0.851685  0.347722  0.391764  1
  Cu  Cu33  1  0.206794  0.320369  0.408534  1
  Cu  Cu34  1  0.618279  0.109199  0.384992  1
  Cu  Cu35  1  0.973532  0.081540  0.401603  1
  Cu  Cu36  1  0.328898  0.054014  0.418337  1
  Cu  Cu37  1  0.595026  0.751304  0.450207  1
  Cu  Cu38  1  0.950142  0.723685  0.466867  1
  Cu  Cu39  1  0.239813  0.778910  0.433506  1
  Cu  Cu40  1  0.795216  0.531379  0.431945  1
  Cu  Cu41  1  0.150352  0.503866  0.448667  1
  Cu  Cu42  1  0.505577  0.476228  0.465360  1
  Cu  Cu43  1  0.562137  0.292642  0.425215  1
  Cu  Cu44  1  0.917304  0.265041  0.441846  1
  Cu  Cu45  1  0.272507  0.237473  0.458556  1
  Cu  Cu46  1  0.684281  0.026368  0.435039  1
  Cu  Cu47  1  0.039455  0.998764  0.451697  1
  Cu  Cu48  1  0.394693  0.971183  0.468398  1
  Cu  Cu49  1  0.660548  0.668487  0.500250  1
  Cu  Cu50  1  0.015687  0.640887  0.516917  1
  Cu  Cu51  1  0.305346  0.696107  0.483557  1
  Cu  Cu52  1  0.860737  0.448602  0.482021  1
  Cu  Cu53  1  0.215946  0.421006  0.498721  1
  Cu  Cu54  1  0.571165  0.393394  0.515409  1
  Cu  Cu55  1  0.627751  0.209850  0.475241  1
  Cu  Cu56  1  0.982938  0.182247  0.491904  1
  Cu  Cu57  1  0.338148  0.154649  0.508601  1
  Cu  Cu58  1  0.749934  0.943552  0.485096  1
  Cu  Cu59  1  0.105099  0.915943  0.501769  1
  Cu  Cu60  1  0.460288  0.888357  0.518461  1
  Cu  Cu61  1  0.726077  0.585660  0.550299  1
  Cu  Cu62  1  0.081168  0.558101  0.566959  1
  Cu  Cu63  1  0.370890  0.613312  0.533601  1
  Cu  Cu64  1  0.926369  0.365779  0.532073  1
  Cu  Cu65  1  0.281628  0.338176  0.548770  1
  Cu  Cu66  1  0.636905  0.310577  0.565458  1
  Cu  Cu67  1  0.693361  0.127028  0.525290  1
  Cu  Cu68  1  0.048564  0.099406  0.541960  1
  Cu  Cu69  1  0.403780  0.071811  0.558662  1
  Cu  Cu70  1  0.815475  0.860708  0.535161  1
  Cu  Cu71  1  0.170611  0.833082  0.551838  1
  Cu  Cu72  1  0.525734  0.805594  0.568531  1
  Cu  Cu73  1  0.791456  0.502812  0.600391  1
  Cu  Cu74  1  0.146830  0.475518  0.616947  1
  Cu  Cu75  1  0.436459  0.530549  0.583623  1
  Cu  Cu76  1  0.992179  0.282982  0.582107  1
  Cu  Cu77  1  0.347596  0.255290  0.598817  1
  Cu  Cu78  1  0.703099  0.227829  0.615498  1
  Cu  Cu79  1  0.758989  0.044165  0.575353  1
  Cu  Cu80  1  0.114201  0.016455  0.592017  1
  Cu  Cu81  1  0.469454  0.989076  0.608774  1
  Cu  Cu82  1  0.880841  0.777679  0.585233  1
  Cu  Cu83  1  0.235951  0.750318  0.601937  1
  Cu  Cu84  1  0.590449  0.722927  0.618599  1
  Cu  Cu85  1  0.857609  0.419969  0.650566  1
  Cu  Cu86  1  0.212086  0.393394  0.666777  1
  Cu  Cu87  1  0.501628  0.447556  0.633636  1
  Cu  Cu88  1  0.058697  0.200069  0.632087  1
  Cu  Cu89  1  0.414543  0.172388  0.648939  1
  Cu  Cu90  1  0.770605  0.143984  0.665306  1
  Cu  Cu91  1  0.824564  0.960706  0.625391  1
  Cu  Cu92  1  0.180037  0.933623  0.642145  1
  Cu  Cu93  1  0.534344  0.906535  0.659051  1
  Cu  Cu94  1  0.946323  0.694212  0.635323  1
  Cu  Cu95  1  0.299929  0.668575  0.652250  1
  Cu  Cu96  1  0.654679  0.638835  0.668253  1
  Cu  Cu97  1  0.922220  0.336580  0.700582  1
  Cu  Cu98  1  0.278119  0.310416  0.715746  1
  Cu  Cu99  1  0.567984  0.363253  0.683647  1
  Cu  Cu100  1  0.127758  0.117823  0.681993  1
  Cu  Cu101  1  0.483818  0.090774  0.699357  1
  Cu  Cu102  1  0.840387  0.060346  0.714195  1
  Cu  Cu103  1  0.891406  0.876512  0.675306  1
  Cu  Cu104  1  0.245027  0.853322  0.692768  1
  Cu  Cu105  1  0.605691  0.822308  0.708297  1
  Cu  Cu106  1  0.010539  0.612637  0.685911  1
  Cu  Cu107  1  0.365388  0.585248  0.701966  1
  Cu  Cu108  1  0.719731  0.554909  0.717226  1
