# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40104221
_cell_length_b   8.70113924
_cell_length_c   49.10081742
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu72
_cell_volume   1880.27068157
_cell_formula_units_Z   72
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  0.004509  0.973382  0.303618  1
  Cu  Cu2  1  0.507239  0.020940  0.280321  1
  Cu  Cu3  1  0.349389  0.746484  0.291239  1
  Cu  Cu4  1  0.843424  0.705578  0.316336  1
  Cu  Cu5  1  0.998750  0.520940  0.280321  1
  Cu  Cu6  1  0.501479  0.473382  0.303618  1
  Cu  Cu7  1  0.156600  0.246484  0.291239  1
  Cu  Cu8  1  0.662565  0.205578  0.316336  1
  Cu  Cu9  1  0.003319  0.890204  0.353930  1
  Cu  Cu10  1  0.502802  0.933033  0.329174  1
  Cu  Cu11  1  0.342102  0.661241  0.341125  1
  Cu  Cu12  1  0.840695  0.619079  0.366374  1
  Cu  Cu13  1  0.003187  0.433033  0.329174  1
  Cu  Cu14  1  0.502670  0.390204  0.353930  1
  Cu  Cu15  1  0.163886  0.161241  0.341125  1
  Cu  Cu16  1  0.665294  0.119079  0.366374  1
  Cu  Cu17  1  0.003109  0.804565  0.403970  1
  Cu  Cu18  1  0.503067  0.847073  0.378971  1
  Cu  Cu19  1  0.339949  0.575995  0.391358  1
  Cu  Cu20  1  0.839792  0.533169  0.416423  1
  Cu  Cu21  1  1.002922  0.347073  0.378971  1
  Cu  Cu22  1  0.502880  0.304565  0.403970  1
  Cu  Cu23  1  0.166039  0.075995  0.391358  1
  Cu  Cu24  1  0.666197  0.033169  0.416423  1
  Cu  Cu25  1  0.003000  0.718893  0.453990  1
  Cu  Cu26  1  0.503036  0.761651  0.428975  1
  Cu  Cu27  1  0.339646  0.490352  0.441451  1
  Cu  Cu28  1  0.839641  0.447511  0.466480  1
  Cu  Cu29  1  1.002953  0.261651  0.428975  1
  Cu  Cu30  1  0.502988  0.218893  0.453990  1
  Cu  Cu31  1  0.166343  0.990352  0.441451  1
  Cu  Cu32  1  0.666348  0.947511  0.466480  1
  Cu  Cu33  1  1.002942  0.633259  0.504026  1
  Cu  Cu34  1  0.502973  0.676074  0.479007  1
  Cu  Cu35  1  0.339662  0.404691  0.491505  1
  Cu  Cu36  1  0.839718  0.361868  0.516529  1
  Cu  Cu37  1  0.003016  0.176074  0.479007  1
  Cu  Cu38  1  0.503047  0.133259  0.504026  1
  Cu  Cu39  1  0.166327  0.904691  0.491505  1
  Cu  Cu40  1  0.666270  0.861868  0.516529  1
  Cu  Cu41  1  1.002850  0.547612  0.554073  1
  Cu  Cu42  1  0.502907  0.590446  0.529048  1
  Cu  Cu43  1  0.339832  0.319042  0.541550  1
  Cu  Cu44  1  0.840034  0.276255  0.566573  1
  Cu  Cu45  1  0.003082  0.090446  0.529048  1
  Cu  Cu46  1  0.503139  0.047612  0.554073  1
  Cu  Cu47  1  0.166156  0.819042  0.541550  1
  Cu  Cu48  1  0.665955  0.776255  0.566573  1
  Cu  Cu49  1  1.002715  0.462014  0.604154  1
  Cu  Cu50  1  0.502803  0.504773  0.579096  1
  Cu  Cu51  1  0.340352  0.233348  0.591589  1
  Cu  Cu52  1  0.841171  0.190738  0.616596  1
  Cu  Cu53  1  0.003186  0.004773  0.579096  1
  Cu  Cu54  1  0.503274  0.962014  0.604154  1
  Cu  Cu55  1  0.165637  0.733348  0.591589  1
  Cu  Cu56  1  0.664818  0.690738  0.616596  1
  Cu  Cu57  1  0.003179  0.376733  0.654349  1
  Cu  Cu58  1  0.502686  0.418720  0.629143  1
  Cu  Cu59  1  0.341811  0.147642  0.641665  1
  Cu  Cu60  1  0.844333  0.104696  0.666393  1
  Cu  Cu61  1  0.003303  0.918720  0.629143  1
  Cu  Cu62  1  0.502810  0.876733  0.654349  1
  Cu  Cu63  1  0.164178  0.647642  0.641665  1
  Cu  Cu64  1  0.661656  0.604696  0.666393  1
  Cu  Cu65  1  1.002553  0.290584  0.704183  1
  Cu  Cu66  1  0.502962  0.332262  0.679272  1
  Cu  Cu67  1  0.344867  0.063350  0.691923  1
  Cu  Cu68  1  0.842168  0.017939  0.715298  1
  Cu  Cu69  1  0.003027  0.832262  0.679272  1
  Cu  Cu70  1  0.503436  0.790584  0.704183  1
  Cu  Cu71  1  0.161122  0.563350  0.691923  1
  Cu  Cu72  1  0.663821  0.517939  0.715298  1
