# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54346535
_cell_length_b   16.80519317
_cell_length_c   48.35641382
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.34493866
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2060.97853934
_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  0.919123  0.895945  0.276487  1
  Cu  Cu2  1  0.165042  0.387592  0.297644  1
  Cu  Cu3  1  0.477932  0.013478  0.295605  1
  Cu  Cu4  1  0.723890  0.505274  0.317834  1
  Cu  Cu5  1  0.042276  0.142100  0.286491  1
  Cu  Cu6  1  0.288317  0.634105  0.308667  1
  Cu  Cu7  1  0.606329  0.270173  0.277988  1
  Cu  Cu8  1  0.852668  0.762815  0.299124  1
  Cu  Cu9  1  0.410782  0.879165  0.320705  1
  Cu  Cu10  1  0.656668  0.370852  0.342494  1
  Cu  Cu11  1  0.969429  0.996450  0.340801  1
  Cu  Cu12  1  0.215188  0.487890  0.363150  1
  Cu  Cu13  1  0.533711  0.124974  0.331327  1
  Cu  Cu14  1  0.779419  0.616337  0.353647  1
  Cu  Cu15  1  0.097972  0.253466  0.322212  1
  Cu  Cu16  1  0.343602  0.744702  0.344189  1
  Cu  Cu17  1  0.902053  0.861663  0.365665  1
  Cu  Cu18  1  0.148046  0.353614  0.388011  1
  Cu  Cu19  1  0.460672  0.978915  0.386450  1
  Cu  Cu20  1  0.706494  0.470513  0.408903  1
  Cu  Cu21  1  0.025010  0.107564  0.376823  1
  Cu  Cu22  1  0.270733  0.598978  0.399229  1
  Cu  Cu23  1  0.589403  0.236327  0.367357  1
  Cu  Cu24  1  0.835003  0.727509  0.389742  1
  Cu  Cu25  1  0.393516  0.844571  0.411073  1
  Cu  Cu26  1  0.639344  0.336214  0.433591  1
  Cu  Cu27  1  0.952062  0.961680  0.432073  1
  Cu  Cu28  1  0.197832  0.453195  0.454557  1
  Cu  Cu29  1  0.516393  0.090325  0.422383  1
  Cu  Cu30  1  0.762136  0.581790  0.444855  1
  Cu  Cu31  1  0.080775  0.219071  0.412748  1
  Cu  Cu32  1  0.326426  0.710359  0.435309  1
  Cu  Cu33  1  0.884932  0.827398  0.456577  1
  Cu  Cu34  1  0.130676  0.318877  0.479176  1
  Cu  Cu35  1  0.443448  0.944447  0.477671  1
  Cu  Cu36  1  0.689196  0.435925  0.500142  1
  Cu  Cu37  1  0.007782  0.073099  0.467965  1
  Cu  Cu38  1  0.253537  0.564594  0.490450  1
  Cu  Cu39  1  0.572141  0.201802  0.458243  1
  Cu  Cu40  1  0.817849  0.693206  0.480876  1
  Cu  Cu41  1  0.376341  0.810213  0.502137  1
  Cu  Cu42  1  0.622022  0.301570  0.524760  1
  Cu  Cu43  1  0.934841  0.927230  0.523261  1
  Cu  Cu44  1  0.180580  0.418693  0.545669  1
  Cu  Cu45  1  0.499167  0.055867  0.513563  1
  Cu  Cu46  1  0.744949  0.547417  0.536011  1
  Cu  Cu47  1  0.063507  0.184532  0.503801  1
  Cu  Cu48  1  0.309273  0.676052  0.526445  1
  Cu  Cu49  1  0.867745  0.793022  0.547743  1
  Cu  Cu50  1  0.113369  0.284263  0.570337  1
  Cu  Cu51  1  0.426243  0.910033  0.568834  1
  Cu  Cu52  1  0.671978  0.401486  0.591123  1
  Cu  Cu53  1  0.990559  0.038652  0.559179  1
  Cu  Cu54  1  0.236384  0.530284  0.581535  1
  Cu  Cu55  1  0.554868  0.167255  0.549407  1
  Cu  Cu56  1  0.800710  0.658923  0.572009  1
  Cu  Cu57  1  0.359143  0.775822  0.593413  1
  Cu  Cu58  1  0.604727  0.266978  0.615910  1
  Cu  Cu59  1  0.917645  0.892839  0.614351  1
  Cu  Cu60  1  0.163439  0.384404  0.636486  1
  Cu  Cu61  1  0.481976  0.021489  0.604809  1
  Cu  Cu62  1  0.727814  0.513133  0.627003  1
  Cu  Cu63  1  0.046231  0.149985  0.595074  1
  Cu  Cu64  1  0.292205  0.641899  0.617566  1
  Cu  Cu65  1  0.850542  0.758627  0.639209  1
  Cu  Cu66  1  0.096240  0.250005  0.661424  1
  Cu  Cu67  1  0.409100  0.875753  0.659645  1
  Cu  Cu68  1  0.655047  0.367612  0.681602  1
  Cu  Cu69  1  0.973358  0.004262  0.650361  1
  Cu  Cu70  1  0.219310  0.496108  0.672432  1
  Cu  Cu71  1  0.537620  0.132768  0.640834  1
  Cu  Cu72  1  0.783445  0.624343  0.662926  1
  Cu  Cu73  1  0.341685  0.740925  0.684641  1
  Cu  Cu74  1  0.588078  0.233684  0.706288  1
  Cu  Cu75  1  0.900601  0.858768  0.703996  1
  Cu  Cu76  1  0.146931  0.351379  0.725826  1
  Cu  Cu77  1  0.464712  0.986989  0.695234  1
  Cu  Cu78  1  0.710952  0.479371  0.717139  1
  Cu  Cu79  1  0.029122  0.115785  0.686149  1
  Cu  Cu80  1  0.275120  0.607601  0.707806  1
