# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55238797
_cell_length_b   18.05404804
_cell_length_c   47.70133360
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.93896546
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2192.60295662
_cell_formula_units_Z   80
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  0.502319  0.440309  0.296671  1
  Cu  Cu2  1  0.761519  0.921592  0.315985  1
  Cu  Cu3  1  0.954352  0.536140  0.325013  1
  Cu  Cu4  1  0.692861  0.059092  0.304954  1
  Cu  Cu5  1  0.131582  0.181473  0.306565  1
  Cu  Cu6  1  0.870185  0.704365  0.285972  1
  Cu  Cu7  1  0.569973  0.304606  0.307942  1
  Cu  Cu8  1  0.309396  0.825837  0.287610  1
  Cu  Cu9  1  0.023779  0.397210  0.338457  1
  Cu  Cu10  1  0.284516  0.875643  0.359269  1
  Cu  Cu11  1  0.477106  0.490608  0.368486  1
  Cu  Cu12  1  0.215792  0.013160  0.347278  1
  Cu  Cu13  1  0.654183  0.136293  0.348963  1
  Cu  Cu14  1  0.393085  0.658571  0.327588  1
  Cu  Cu15  1  0.092690  0.259233  0.350504  1
  Cu  Cu16  1  0.831296  0.782064  0.329332  1
  Cu  Cu17  1  0.546232  0.352242  0.381574  1
  Cu  Cu18  1  0.807254  0.830181  0.403177  1
  Cu  Cu19  1  0.999738  0.445303  0.412525  1
  Cu  Cu20  1  0.738502  0.967729  0.390815  1
  Cu  Cu21  1  0.176782  0.091111  0.392535  1
  Cu  Cu22  1  0.915683  0.613363  0.370615  1
  Cu  Cu23  1  0.615068  0.214490  0.394135  1
  Cu  Cu24  1  0.353873  0.736907  0.372468  1
  Cu  Cu25  1  0.068650  0.307388  0.425255  1
  Cu  Cu26  1  0.329948  0.784795  0.446916  1
  Cu  Cu27  1  0.522356  0.400044  0.456413  1
  Cu  Cu28  1  0.261058  0.922621  0.434547  1
  Cu  Cu29  1  0.699354  0.045973  0.436134  1
  Cu  Cu30  1  0.438131  0.568447  0.414166  1
  Cu  Cu31  1  0.137608  0.169410  0.437729  1
  Cu  Cu32  1  0.876388  0.691869  0.415885  1
  Cu  Cu33  1  0.591258  0.262166  0.468923  1
  Cu  Cu34  1  0.852594  0.739500  0.490600  1
  Cu  Cu35  1  0.045002  0.354738  0.500185  1
  Cu  Cu36  1  0.783665  0.877409  0.478200  1
  Cu  Cu37  1  0.221921  1.000839  0.479770  1
  Cu  Cu38  1  0.960675  0.523345  0.457873  1
  Cu  Cu39  1  0.660177  0.124270  0.481342  1
  Cu  Cu40  1  0.398948  0.646740  0.459439  1
  Cu  Cu41  1  0.113884  0.216908  0.512620  1
  Cu  Cu42  1  0.375226  0.694233  0.534251  1
  Cu  Cu43  1  0.567615  0.309502  0.543895  1
  Cu  Cu44  1  0.306253  0.832231  0.521816  1
  Cu  Cu45  1  0.744499  0.955683  0.523406  1
  Cu  Cu46  1  0.483292  0.478099  0.501639  1
  Cu  Cu47  1  0.182764  0.079094  0.524984  1
  Cu  Cu48  1  0.921552  0.601523  0.503086  1
  Cu  Cu49  1  0.636523  0.171627  0.556341  1
  Cu  Cu50  1  0.897857  0.648964  0.577858  1
  Cu  Cu51  1  0.090161  0.264400  0.587514  1
  Cu  Cu52  1  0.828833  0.787070  0.565392  1
  Cu  Cu53  1  0.267059  0.910563  0.567020  1
  Cu  Cu54  1  0.005934  0.432806  0.545433  1
  Cu  Cu55  1  0.705345  0.033931  0.568655  1
  Cu  Cu56  1  0.444205  0.556206  0.546797  1
  Cu  Cu57  1  0.159154  0.126361  0.600135  1
  Cu  Cu58  1  0.420315  0.604035  0.621467  1
  Cu  Cu59  1  0.612485  0.219737  0.630948  1
  Cu  Cu60  1  0.351432  0.741874  0.608943  1
  Cu  Cu61  1  0.789690  0.865305  0.610570  1
  Cu  Cu62  1  0.528563  0.387536  0.589250  1
  Cu  Cu63  1  0.227898  0.988825  0.612371  1
  Cu  Cu64  1  0.966853  0.510892  0.590622  1
  Cu  Cu65  1  0.681842  0.080989  0.644018  1
  Cu  Cu66  1  0.942812  0.558992  0.664502  1
  Cu  Cu67  1  0.134884  0.174933  0.673551  1
  Cu  Cu68  1  0.873889  0.696973  0.652541  1
  Cu  Cu69  1  0.312423  0.819855  0.654121  1
  Cu  Cu70  1  0.051137  0.342376  0.633070  1
  Cu  Cu71  1  0.750835  0.942940  0.655780  1
  Cu  Cu72  1  0.489568  0.465437  0.634571  1
  Cu  Cu73  1  0.205195  0.034309  0.686897  1
  Cu  Cu74  1  0.464356  0.515749  0.706167  1
  Cu  Cu75  1  0.657693  0.129282  0.714228  1
  Cu  Cu76  1  0.396667  0.651479  0.695080  1
  Cu  Cu77  1  0.835070  0.774587  0.696513  1
  Cu  Cu78  1  0.573934  0.296800  0.676022  1
  Cu  Cu79  1  0.273804  0.896942  0.698121  1
  Cu  Cu80  1  0.012213  0.420146  0.677643  1
