# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14166071
_cell_length_b   4.85363714
_cell_length_c   45.71103792
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.72504457
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu72
_cell_volume   1889.989793
_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  0.908054  0.019268  0.278700  1
  Cu  Cu2  1  0.185226  0.962782  0.289478  1
  Cu  Cu3  1  0.463698  0.908751  0.301186  1
  Cu  Cu4  1  0.972217  0.474997  0.287384  1
  Cu  Cu5  1  0.250817  0.422055  0.298618  1
  Cu  Cu6  1  0.532886  0.365950  0.310026  1
  Cu  Cu7  1  0.741808  0.852333  0.312993  1
  Cu  Cu8  1  0.023749  0.799834  0.326191  1
  Cu  Cu9  1  0.304023  0.744406  0.337894  1
  Cu  Cu10  1  0.809789  0.312252  0.323472  1
  Cu  Cu11  1  0.090756  0.255145  0.335581  1
  Cu  Cu12  1  0.370385  0.202375  0.347378  1
  Cu  Cu13  1  0.581486  0.691027  0.350170  1
  Cu  Cu14  1  0.861456  0.637762  0.362377  1
  Cu  Cu15  1  0.142231  0.581296  0.374934  1
  Cu  Cu16  1  0.648805  0.146851  0.359773  1
  Cu  Cu17  1  0.928738  0.093304  0.372627  1
  Cu  Cu18  1  0.209315  0.037497  0.384835  1
  Cu  Cu19  1  0.421541  0.526526  0.387220  1
  Cu  Cu20  1  0.700755  0.472973  0.399490  1
  Cu  Cu21  1  0.980578  0.419105  0.411922  1
  Cu  Cu22  1  0.488447  0.983486  0.397142  1
  Cu  Cu23  1  0.767906  0.929062  0.409546  1
  Cu  Cu24  1  0.047984  0.874614  0.422018  1
  Cu  Cu25  1  0.260390  0.363948  0.424375  1
  Cu  Cu26  1  0.540073  0.309511  0.436708  1
  Cu  Cu27  1  0.819694  0.255364  0.449039  1
  Cu  Cu28  1  0.327754  0.819788  0.434375  1
  Cu  Cu29  1  0.607374  0.765398  0.446724  1
  Cu  Cu30  1  0.887038  0.711188  0.459122  1
  Cu  Cu31  1  0.099370  0.200976  0.461461  1
  Cu  Cu32  1  0.379177  0.146296  0.473846  1
  Cu  Cu33  1  0.658916  0.091851  0.486211  1
  Cu  Cu34  1  0.166795  0.656673  0.471533  1
  Cu  Cu35  1  0.446572  0.602057  0.483900  1
  Cu  Cu36  1  0.726291  0.547629  0.496276  1
  Cu  Cu37  1  0.938544  0.037594  0.498602  1
  Cu  Cu38  1  0.218262  0.983166  0.510978  1
  Cu  Cu39  1  0.498039  0.928550  0.523345  1
  Cu  Cu40  1  0.005919  0.493372  0.508667  1
  Cu  Cu41  1  0.285657  0.438927  0.521033  1
  Cu  Cu42  1  0.565464  0.384247  0.533417  1
  Cu  Cu43  1  0.777797  0.874035  0.535756  1
  Cu  Cu44  1  0.057461  0.819824  0.548154  1
  Cu  Cu45  1  0.337081  0.765435  0.560503  1
  Cu  Cu46  1  0.845141  0.329859  0.545839  1
  Cu  Cu47  1  0.124762  0.275712  0.558171  1
  Cu  Cu48  1  0.404444  0.221275  0.570504  1
  Cu  Cu49  1  0.616850  0.710609  0.572860  1
  Cu  Cu50  1  0.896929  0.656161  0.585332  1
  Cu  Cu51  1  0.176388  0.601736  0.597736  1
  Cu  Cu52  1  0.684257  0.166117  0.582956  1
  Cu  Cu53  1  0.964080  0.112249  0.595388  1
  Cu  Cu54  1  0.243293  0.058697  0.607659  1
  Cu  Cu55  1  0.455519  0.547726  0.610044  1
  Cu  Cu56  1  0.736097  0.491919  0.622252  1
  Cu  Cu57  1  0.016030  0.438371  0.635105  1
  Cu  Cu58  1  0.522604  0.003927  0.619944  1
  Cu  Cu59  1  0.803379  0.947461  0.632502  1
  Cu  Cu60  1  0.083349  0.894195  0.644709  1
  Cu  Cu61  1  0.294450  0.382848  0.647500  1
  Cu  Cu62  1  0.574079  0.330077  0.659297  1
  Cu  Cu63  1  0.855046  0.272970  0.671407  1
  Cu  Cu64  1  0.360812  0.840817  0.656984  1
  Cu  Cu65  1  0.641085  0.785389  0.668688  1
  Cu  Cu66  1  0.923026  0.732890  0.681885  1
  Cu  Cu67  1  0.131948  0.219273  0.684853  1
  Cu  Cu68  1  0.414018  0.163168  0.696260  1
  Cu  Cu69  1  0.692617  0.110226  0.707494  1
  Cu  Cu70  1  0.201137  0.676472  0.693692  1
  Cu  Cu71  1  0.479608  0.622440  0.705401  1
  Cu  Cu72  1  0.756780  0.565955  0.716179  1
