# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04462338
_cell_length_b   8.03943472
_cell_length_c   47.28726254
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu112
_cell_volume   2996.47749532
_cell_formula_units_Z   112
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  0.620913  0.869659  0.331110  1
  Cu  Cu2  1  0.119454  0.370467  0.331838  1
  Cu  Cu3  1  0.203497  0.954779  0.300242  1
  Cu  Cu4  1  0.704837  0.457845  0.300434  1
  Cu  Cu5  1  0.868328  0.622251  0.331128  1
  Cu  Cu6  1  0.369099  0.120826  0.331836  1
  Cu  Cu7  1  0.456353  0.706247  0.300430  1
  Cu  Cu8  1  0.953352  0.204922  0.300244  1
  Cu  Cu9  1  0.577065  0.578380  0.346788  1
  Cu  Cu10  1  0.245155  0.246745  0.286180  1
  Cu  Cu11  1  0.164500  0.662341  0.315227  1
  Cu  Cu12  1  0.661030  0.165833  0.315226  1
  Cu  Cu13  1  0.908790  0.910091  0.314224  1
  Cu  Cu14  1  0.411722  0.413028  0.315001  1
  Cu  Cu15  1  0.493882  0.999392  0.286553  1
  Cu  Cu16  1  0.997804  0.495475  0.286557  1
  Cu  Cu17  1  0.451984  0.703184  0.393571  1
  Cu  Cu18  1  0.951806  0.203085  0.393333  1
  Cu  Cu19  1  0.035773  0.787393  0.361627  1
  Cu  Cu20  1  0.536030  0.287344  0.362049  1
  Cu  Cu21  1  0.702014  0.453158  0.393571  1
  Cu  Cu22  1  0.201925  0.952971  0.393333  1
  Cu  Cu23  1  0.286113  0.537260  0.362049  1
  Cu  Cu24  1  0.786161  0.036989  0.361623  1
  Cu  Cu25  1  0.410075  0.411187  0.409172  1
  Cu  Cu26  1  0.076483  0.077784  0.346223  1
  Cu  Cu27  1  0.993446  0.496251  0.377970  1
  Cu  Cu28  1  0.495043  0.994651  0.377962  1
  Cu  Cu29  1  0.744063  0.745290  0.377946  1
  Cu  Cu30  1  0.243734  0.244948  0.378156  1
  Cu  Cu31  1  0.328546  0.829068  0.346521  1
  Cu  Cu32  1  0.827762  0.329845  0.346524  1
  Cu  Cu33  1  0.283921  0.535144  0.456202  1
  Cu  Cu34  1  0.784179  0.034926  0.456161  1
  Cu  Cu35  1  0.867929  0.619319  0.424956  1
  Cu  Cu36  1  0.368239  0.118854  0.424912  1
  Cu  Cu37  1  0.534158  0.284906  0.456201  1
  Cu  Cu38  1  0.033941  0.785165  0.456163  1
  Cu  Cu39  1  0.117780  0.369311  0.424914  1
  Cu  Cu40  1  0.618236  0.869010  0.424954  1
  Cu  Cu41  1  0.242019  0.242961  0.471880  1
  Cu  Cu42  1  0.910064  0.911174  0.408940  1
  Cu  Cu43  1  0.826050  0.326950  0.440513  1
  Cu  Cu44  1  0.325917  0.827084  0.440514  1
  Cu  Cu45  1  0.576010  0.577046  0.440595  1
  Cu  Cu46  1  0.075980  0.077010  0.440415  1
  Cu  Cu47  1  0.159823  0.661470  0.409055  1
  Cu  Cu48  1  0.660359  0.160930  0.409052  1
  Cu  Cu49  1  0.115982  0.366894  0.518903  1
  Cu  Cu50  1  0.616077  0.866803  0.518982  1
  Cu  Cu51  1  0.700046  0.450867  0.487604  1
  Cu  Cu52  1  0.199957  0.950949  0.487532  1
  Cu  Cu53  1  0.366082  0.116794  0.518903  1
  Cu  Cu54  1  0.865988  0.616892  0.518983  1
  Cu  Cu55  1  0.950048  0.200858  0.487531  1
  Cu  Cu56  1  0.449963  0.700950  0.487605  1
  Cu  Cu57  1  0.073978  0.074746  0.534577  1
  Cu  Cu58  1  0.742044  0.742992  0.471970  1
  Cu  Cu59  1  0.658167  0.158775  0.503270  1
  Cu  Cu60  1  0.157918  0.659024  0.503271  1
  Cu  Cu61  1  0.408036  0.408893  0.503268  1
  Cu  Cu62  1  0.908030  0.908887  0.503272  1
  Cu  Cu63  1  0.991951  0.493066  0.471931  1
  Cu  Cu64  1  0.492121  0.992897  0.471930  1
  Cu  Cu65  1  0.948238  0.198262  0.581677  1
  Cu  Cu66  1  0.447778  0.698878  0.581708  1
  Cu  Cu67  1  0.532184  0.282640  0.550328  1
  Cu  Cu68  1  0.031892  0.782889  0.550386  1
  Cu  Cu69  1  0.197621  0.948878  0.581680  1
  Cu  Cu70  1  0.698226  0.448427  0.581706  1
  Cu  Cu71  1  0.782161  0.032619  0.550384  1
  Cu  Cu72  1  0.281912  0.532912  0.550329  1
  Cu  Cu73  1  0.906100  0.906703  0.597621  1
  Cu  Cu74  1  0.574015  0.574791  0.534671  1
  Cu  Cu75  1  0.490082  0.990653  0.565952  1
  Cu  Cu76  1  0.989973  0.490763  0.565953  1
  Cu  Cu77  1  0.240028  0.240704  0.565840  1
  Cu  Cu78  1  0.740067  0.740751  0.566049  1
  Cu  Cu79  1  0.824104  0.324668  0.534629  1
  Cu  Cu80  1  0.323895  0.824877  0.534630  1
  Cu  Cu81  1  0.780331  0.030924  0.644830  1
  Cu  Cu82  1  0.279984  0.530808  0.644370  1
  Cu  Cu83  1  0.363865  0.114656  0.612776  1
  Cu  Cu84  1  0.864116  0.614612  0.613032  1
  Cu  Cu85  1  0.030448  0.780804  0.644828  1
  Cu  Cu86  1  0.530334  0.280443  0.644367  1
  Cu  Cu87  1  0.614068  0.864668  0.613032  1
  Cu  Cu88  1  0.114121  0.364404  0.612776  1
  Cu  Cu89  1  0.737948  0.738350  0.659849  1
  Cu  Cu90  1  0.406021  0.406617  0.597327  1
  Cu  Cu91  1  0.320943  0.823852  0.628731  1
  Cu  Cu92  1  0.823333  0.321456  0.628722  1
  Cu  Cu93  1  0.071678  0.072202  0.629033  1
  Cu  Cu94  1  0.571866  0.572406  0.628647  1
  Cu  Cu95  1  0.656339  0.156373  0.597466  1
  Cu  Cu96  1  0.155779  0.656939  0.597469  1
  Cu  Cu97  1  0.610311  0.862614  0.705554  1
  Cu  Cu98  1  0.112275  0.361980  0.705264  1
  Cu  Cu99  1  0.195869  0.947238  0.676149  1
  Cu  Cu100  1  0.698757  0.444892  0.674917  1
  Cu  Cu101  1  0.862345  0.610475  0.705550  1
  Cu  Cu102  1  0.361782  0.112481  0.705266  1
  Cu  Cu103  1  0.444485  0.699177  0.674937  1
  Cu  Cu104  1  0.946797  0.196312  0.676147  1
  Cu  Cu105  1  0.570828  0.570936  0.718984  1
  Cu  Cu106  1  0.238009  0.238393  0.659329  1
  Cu  Cu107  1  0.157010  0.654207  0.691492  1
  Cu  Cu108  1  0.653854  0.157416  0.691497  1
  Cu  Cu109  1  0.903073  0.903427  0.691213  1
  Cu  Cu110  1  0.403015  0.403378  0.690630  1
  Cu  Cu111  1  0.488881  0.990297  0.659575  1
  Cu  Cu112  1  0.989903  0.489264  0.659572  1
