# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38689315
_cell_length_b   12.67432407
_cell_length_c   46.00554480
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.99854947
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu96
_cell_volume   2519.07769303
_cell_formula_units_Z   96
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  0.349882  0.984146  0.279625  1
  Cu  Cu2  1  0.178530  0.310991  0.287634  1
  Cu  Cu3  1  0.013428  0.640605  0.296469  1
  Cu  Cu4  1  0.605708  0.147263  0.283240  1
  Cu  Cu5  1  0.438326  0.475797  0.292078  1
  Cu  Cu6  1  0.277689  0.805197  0.300375  1
  Cu  Cu7  1  0.853793  0.969533  0.305170  1
  Cu  Cu8  1  0.684098  0.301367  0.314598  1
  Cu  Cu9  1  0.518925  0.630739  0.323423  1
  Cu  Cu10  1  0.107446  0.136541  0.310183  1
  Cu  Cu11  1  0.942997  0.465967  0.318973  1
  Cu  Cu12  1  0.778757  0.796151  0.327589  1
  Cu  Cu13  1  0.356460  0.960456  0.333297  1
  Cu  Cu14  1  0.191570  0.290731  0.342226  1
  Cu  Cu15  1  0.024981  0.620734  0.351138  1
  Cu  Cu16  1  0.611942  0.124953  0.337508  1
  Cu  Cu17  1  0.446064  0.455826  0.346703  1
  Cu  Cu18  1  0.282242  0.785210  0.355558  1
  Cu  Cu19  1  0.861828  0.950028  0.360531  1
  Cu  Cu20  1  0.696221  0.280198  0.369842  1
  Cu  Cu21  1  0.530385  0.610315  0.378908  1
  Cu  Cu22  1  0.116272  0.115341  0.365323  1
  Cu  Cu23  1  0.951086  0.445394  0.374370  1
  Cu  Cu24  1  0.786688  0.775153  0.383390  1
  Cu  Cu25  1  0.366201  0.939775  0.388494  1
  Cu  Cu26  1  0.201056  0.269988  0.397748  1
  Cu  Cu27  1  0.035435  0.599928  0.406810  1
  Cu  Cu28  1  0.621516  0.104811  0.393087  1
  Cu  Cu29  1  0.456448  0.434950  0.402267  1
  Cu  Cu30  1  0.291663  0.764693  0.411400  1
  Cu  Cu31  1  0.871025  0.929527  0.416237  1
  Cu  Cu32  1  0.706042  0.259565  0.425544  1
  Cu  Cu33  1  0.540618  0.589550  0.434686  1
  Cu  Cu34  1  0.126596  0.094566  0.420949  1
  Cu  Cu35  1  0.961530  0.424628  0.430108  1
  Cu  Cu36  1  0.796654  0.754439  0.439282  1
  Cu  Cu37  1  0.375962  0.919250  0.444122  1
  Cu  Cu38  1  0.211064  0.249247  0.453402  1
  Cu  Cu39  1  0.045778  0.579223  0.462553  1
  Cu  Cu40  1  0.631738  0.084220  0.448770  1
  Cu  Cu41  1  0.466666  0.414245  0.457963  1
  Cu  Cu42  1  0.301756  0.744100  0.467192  1
  Cu  Cu43  1  0.881022  0.908961  0.471957  1
  Cu  Cu44  1  0.716131  0.238893  0.481236  1
  Cu  Cu45  1  0.550950  0.568878  0.490419  1
  Cu  Cu46  1  0.136868  0.073907  0.476629  1
  Cu  Cu47  1  0.971753  0.403908  0.485809  1
  Cu  Cu48  1  0.806853  0.733804  0.495058  1
  Cu  Cu49  1  0.386120  0.898651  0.499837  1
  Cu  Cu50  1  0.221220  0.228548  0.509087  1
  Cu  Cu51  1  0.056105  0.558548  0.518267  1
  Cu  Cu52  1  0.642023  0.063578  0.504477  1
  Cu  Cu53  1  0.476842  0.393562  0.513660  1
  Cu  Cu54  1  0.311950  0.723494  0.522939  1
  Cu  Cu55  1  0.891216  0.888356  0.527703  1
  Cu  Cu56  1  0.726306  0.218211  0.536933  1
  Cu  Cu57  1  0.561234  0.548235  0.546126  1
  Cu  Cu58  1  0.147194  0.053232  0.532343  1
  Cu  Cu59  1  0.981908  0.383208  0.541494  1
  Cu  Cu60  1  0.817011  0.713206  0.550774  1
  Cu  Cu61  1  0.396318  0.878017  0.555614  1
  Cu  Cu62  1  0.231442  0.207827  0.564788  1
  Cu  Cu63  1  0.066376  0.537889  0.573947  1
  Cu  Cu64  1  0.652355  0.042906  0.560210  1
  Cu  Cu65  1  0.486931  0.372890  0.569351  1
  Cu  Cu66  1  0.321947  0.702929  0.578658  1
  Cu  Cu67  1  0.901309  0.867763  0.583495  1
  Cu  Cu68  1  0.736525  0.197506  0.592629  1
  Cu  Cu69  1  0.571457  0.527645  0.601809  1
  Cu  Cu70  1  0.157537  0.032527  0.588086  1
  Cu  Cu71  1  0.991916  0.362468  0.597148  1
  Cu  Cu72  1  0.826772  0.692681  0.606402  1
  Cu  Cu73  1  0.406285  0.857302  0.611505  1
  Cu  Cu74  1  0.241887  0.187062  0.620525  1
  Cu  Cu75  1  0.076701  0.517115  0.629572  1
  Cu  Cu76  1  0.662588  0.022140  0.615988  1
  Cu  Cu77  1  0.496752  0.352258  0.625054  1
  Cu  Cu78  1  0.331145  0.682428  0.634365  1
  Cu  Cu79  1  0.910730  0.847245  0.639337  1
  Cu  Cu80  1  0.746908  0.176629  0.648193  1
  Cu  Cu81  1  0.581030  0.507502  0.657387  1
  Cu  Cu82  1  0.167992  0.011721  0.643757  1
  Cu  Cu83  1  1.001403  0.341724  0.652669  1
  Cu  Cu84  1  0.836512  0.672000  0.661599  1
  Cu  Cu85  1  0.414215  0.836304  0.667307  1
  Cu  Cu86  1  0.249976  0.166489  0.675923  1
  Cu  Cu87  1  0.085527  0.495914  0.684713  1
  Cu  Cu88  1  0.674047  1.001716  0.671473  1
  Cu  Cu89  1  0.508875  0.331089  0.680298  1
  Cu  Cu90  1  0.339180  0.662923  0.689726  1
  Cu  Cu91  1  0.915283  0.827258  0.694520  1
  Cu  Cu92  1  0.754646  0.156658  0.702818  1
  Cu  Cu93  1  0.587265  0.485192  0.711655  1
  Cu  Cu94  1  0.179545  0.991851  0.698426  1
  Cu  Cu95  1  0.014442  0.321465  0.707262  1
  Cu  Cu96  1  0.843091  0.648309  0.715270  1
