# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75679544
_cell_length_b   8.75291031
_cell_length_c   48.47669590
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.16558188
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu108
_cell_volume   2862.61585175
_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  0.400987  0.003001  0.301017  1
  Cu  Cu2  1  0.753249  0.975729  0.316778  1
  Cu  Cu3  1  0.046180  0.025812  0.286177  1
  Cu  Cu4  1  0.598156  0.780213  0.284340  1
  Cu  Cu5  1  0.954084  0.752474  0.299611  1
  Cu  Cu6  1  0.306497  0.729979  0.315446  1
  Cu  Cu7  1  0.370039  0.541205  0.278466  1
  Cu  Cu8  1  0.722363  0.514725  0.293263  1
  Cu  Cu9  1  0.076388  0.487341  0.308923  1
  Cu  Cu10  1  0.492965  0.277648  0.287241  1
  Cu  Cu11  1  0.845430  0.248543  0.302265  1
  Cu  Cu12  1  0.200164  0.224607  0.318197  1
  Cu  Cu13  1  0.465963  0.919773  0.350163  1
  Cu  Cu14  1  0.819990  0.892165  0.366855  1
  Cu  Cu15  1  0.109873  0.947604  0.333990  1
  Cu  Cu16  1  0.663489  0.699235  0.332175  1
  Cu  Cu17  1  0.019497  0.671235  0.348742  1
  Cu  Cu18  1  0.374267  0.645737  0.365594  1
  Cu  Cu19  1  0.432152  0.462509  0.326097  1
  Cu  Cu20  1  0.787555  0.432713  0.341853  1
  Cu  Cu21  1  0.141625  0.405685  0.358731  1
  Cu  Cu22  1  0.555441  0.195133  0.335468  1
  Cu  Cu23  1  0.910858  0.166579  0.351491  1
  Cu  Cu24  1  0.265213  0.140161  0.368442  1
  Cu  Cu25  1  0.530499  0.837937  0.400455  1
  Cu  Cu26  1  0.885318  0.810392  0.417165  1
  Cu  Cu27  1  0.175177  0.865197  0.383716  1
  Cu  Cu28  1  0.730312  0.617382  0.382162  1
  Cu  Cu29  1  0.085670  0.590147  0.398965  1
  Cu  Cu30  1  0.441111  0.563092  0.415725  1
  Cu  Cu31  1  0.497341  0.379004  0.375599  1
  Cu  Cu32  1  0.852706  0.350993  0.392015  1
  Cu  Cu33  1  0.207796  0.323950  0.408892  1
  Cu  Cu34  1  0.620164  0.112351  0.385307  1
  Cu  Cu35  1  0.974917  0.085042  0.401907  1
  Cu  Cu36  1  0.329822  0.057931  0.418768  1
  Cu  Cu37  1  0.595900  0.755642  0.450676  1
  Cu  Cu38  1  0.951004  0.728189  0.467381  1
  Cu  Cu39  1  0.240616  0.783086  0.433908  1
  Cu  Cu40  1  0.796403  0.535407  0.432351  1
  Cu  Cu41  1  0.151650  0.508137  0.449137  1
  Cu  Cu42  1  0.506960  0.480740  0.465857  1
  Cu  Cu43  1  0.563231  0.296603  0.425604  1
  Cu  Cu44  1  0.918359  0.269158  0.442265  1
  Cu  Cu45  1  0.273526  0.241865  0.459061  1
  Cu  Cu46  1  0.685021  0.030397  0.435513  1
  Cu  Cu47  1  0.040034  0.003010  0.452214  1
  Cu  Cu48  1  0.395183  0.975624  0.468979  1
  Cu  Cu49  1  0.661456  0.673364  0.500878  1
  Cu  Cu50  1  0.016584  0.645948  0.517593  1
  Cu  Cu51  1  0.306247  0.700812  0.484125  1
  Cu  Cu52  1  0.862122  0.453302  0.482551  1
  Cu  Cu53  1  0.217351  0.425928  0.499311  1
  Cu  Cu54  1  0.572550  0.398518  0.516042  1
  Cu  Cu55  1  0.628740  0.214432  0.475783  1
  Cu  Cu56  1  0.983864  0.187025  0.492495  1
  Cu  Cu57  1  0.339059  0.159635  0.509259  1
  Cu  Cu58  1  0.750385  0.948181  0.485720  1
  Cu  Cu59  1  0.105520  0.920776  0.502436  1
  Cu  Cu60  1  0.460711  0.893428  0.519182  1
  Cu  Cu61  1  0.727023  0.591076  0.551096  1
  Cu  Cu62  1  0.082156  0.563709  0.567782  1
  Cu  Cu63  1  0.371842  0.618576  0.534327  1
  Cu  Cu64  1  0.927694  0.371085  0.532742  1
  Cu  Cu65  1  0.282924  0.343672  0.549511  1
  Cu  Cu66  1  0.638048  0.316259  0.566252  1
  Cu  Cu67  1  0.694216  0.132211  0.526001  1
  Cu  Cu68  1  0.049400  0.104789  0.542708  1
  Cu  Cu69  1  0.404595  0.077451  0.559499  1
  Cu  Cu70  1  0.815923  0.865946  0.535915  1
  Cu  Cu71  1  0.171112  0.838599  0.552627  1
  Cu  Cu72  1  0.526343  0.811310  0.569358  1
  Cu  Cu73  1  0.792496  0.508824  0.601368  1
  Cu  Cu74  1  0.147512  0.481873  0.617916  1
  Cu  Cu75  1  0.437415  0.536321  0.584505  1
  Cu  Cu76  1  0.993128  0.288869  0.582922  1
  Cu  Cu77  1  0.348186  0.261538  0.599780  1
  Cu  Cu78  1  0.703104  0.234019  0.616453  1
  Cu  Cu79  1  0.759825  0.049899  0.576221  1
  Cu  Cu80  1  0.115077  0.022678  0.592936  1
  Cu  Cu81  1  0.470397  0.995350  0.609772  1
  Cu  Cu82  1  0.881794  0.783611  0.586090  1
  Cu  Cu83  1  0.236814  0.756734  0.602802  1
  Cu  Cu84  1  0.592355  0.729183  0.619411  1
  Cu  Cu85  1  0.857722  0.427058  0.651645  1
  Cu  Cu86  1  0.213288  0.399812  0.667562  1
  Cu  Cu87  1  0.502429  0.454067  0.634761  1
  Cu  Cu88  1  0.057990  0.206983  0.633165  1
  Cu  Cu89  1  0.412139  0.179300  0.650134  1
  Cu  Cu90  1  0.768160  0.150422  0.666149  1
  Cu  Cu91  1  0.826147  0.966953  0.626424  1
  Cu  Cu92  1  0.180591  0.940930  0.643221  1
  Cu  Cu93  1  0.536451  0.913157  0.659911  1
  Cu  Cu94  1  0.948804  0.701505  0.636363  1
  Cu  Cu95  1  0.302807  0.675842  0.652913  1
  Cu  Cu96  1  0.658648  0.646332  0.668930  1
  Cu  Cu97  1  0.923788  0.344794  0.700546  1
  Cu  Cu98  1  0.278613  0.321176  0.715368  1
  Cu  Cu99  1  0.570469  0.368732  0.684725  1
  Cu  Cu100  1  0.123029  0.123867  0.683180  1
  Cu  Cu101  1  0.475659  0.096557  0.699233  1
  Cu  Cu102  1  0.826731  0.071482  0.713985  1
  Cu  Cu103  1  0.892168  0.882272  0.676698  1
  Cu  Cu104  1  0.246112  0.858572  0.692608  1
  Cu  Cu105  1  0.601121  0.830803  0.708125  1
  Cu  Cu106  1  0.016521  0.618272  0.686422  1
  Cu  Cu107  1  0.371057  0.592901  0.701468  1
  Cu  Cu108  1  0.723590  0.564826  0.716489  1
