# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67571478
_cell_length_b   8.76560520
_cell_length_c   48.38434287
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.12715388
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu108
_cell_volume   2827.07512371
_cell_formula_units_Z   108
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  0.403276  0.014129  0.297490  1
  Cu  Cu2  1  0.756886  0.986937  0.314679  1
  Cu  Cu3  1  0.046164  0.039411  0.283186  1
  Cu  Cu4  1  0.602317  0.795939  0.281355  1
  Cu  Cu5  1  0.965039  0.764633  0.295626  1
  Cu  Cu6  1  0.313033  0.742640  0.313543  1
  Cu  Cu7  1  0.366125  0.558829  0.275826  1
  Cu  Cu8  1  0.723290  0.527544  0.289865  1
  Cu  Cu9  1  0.077063  0.495468  0.305947  1
  Cu  Cu10  1  0.480584  0.291450  0.284279  1
  Cu  Cu11  1  0.840152  0.258339  0.298595  1
  Cu  Cu12  1  0.196979  0.235578  0.316312  1
  Cu  Cu13  1  0.468091  0.935022  0.347859  1
  Cu  Cu14  1  0.822627  0.907023  0.364475  1
  Cu  Cu15  1  0.112813  0.960140  0.331737  1
  Cu  Cu16  1  0.670777  0.712313  0.329718  1
  Cu  Cu17  1  0.023086  0.685088  0.345947  1
  Cu  Cu18  1  0.379158  0.661205  0.363061  1
  Cu  Cu19  1  0.434964  0.475070  0.323952  1
  Cu  Cu20  1  0.788751  0.445457  0.339392  1
  Cu  Cu21  1  0.143802  0.421301  0.356335  1
  Cu  Cu22  1  0.554410  0.207849  0.332942  1
  Cu  Cu23  1  0.909274  0.181579  0.349258  1
  Cu  Cu24  1  0.265172  0.155417  0.366082  1
  Cu  Cu25  1  0.533541  0.854344  0.397975  1
  Cu  Cu26  1  0.888371  0.827577  0.414652  1
  Cu  Cu27  1  0.177910  0.880536  0.381317  1
  Cu  Cu28  1  0.734613  0.632752  0.379594  1
  Cu  Cu29  1  0.089606  0.606952  0.396333  1
  Cu  Cu30  1  0.445025  0.580354  0.413089  1
  Cu  Cu31  1  0.499870  0.393849  0.373191  1
  Cu  Cu32  1  0.855256  0.367188  0.389630  1
  Cu  Cu33  1  0.210422  0.340879  0.406392  1
  Cu  Cu34  1  0.621079  0.128190  0.382916  1
  Cu  Cu35  1  0.976273  0.101544  0.399481  1
  Cu  Cu36  1  0.331614  0.075113  0.416248  1
  Cu  Cu37  1  0.599131  0.774511  0.448105  1
  Cu  Cu38  1  0.954350  0.747924  0.464786  1
  Cu  Cu39  1  0.243853  0.801117  0.431405  1
  Cu  Cu40  1  0.800326  0.553542  0.429753  1
  Cu  Cu41  1  0.155629  0.527076  0.446468  1
  Cu  Cu42  1  0.510959  0.500507  0.463192  1
  Cu  Cu43  1  0.565979  0.314208  0.423148  1
  Cu  Cu44  1  0.921307  0.287613  0.439762  1
  Cu  Cu45  1  0.276608  0.261111  0.456493  1
  Cu  Cu46  1  0.687104  0.048500  0.433030  1
  Cu  Cu47  1  0.042360  0.021909  0.449687  1
  Cu  Cu48  1  0.397691  0.995400  0.466419  1
  Cu  Cu49  1  0.664989  0.694759  0.498220  1
  Cu  Cu50  1  0.020228  0.668188  0.514896  1
  Cu  Cu51  1  0.309672  0.721357  0.481507  1
  Cu  Cu52  1  0.866297  0.473865  0.479871  1
  Cu  Cu53  1  0.221605  0.447303  0.496587  1
  Cu  Cu54  1  0.576943  0.420728  0.513295  1
  Cu  Cu55  1  0.632010  0.234527  0.473223  1
  Cu  Cu56  1  0.987309  0.207921  0.489898  1
  Cu  Cu57  1  0.342623  0.181381  0.506621  1
  Cu  Cu58  1  0.753059  0.968729  0.483154  1
  Cu  Cu59  1  0.108323  0.942179  0.499845  1
  Cu  Cu60  1  0.463592  0.915605  0.516549  1
  Cu  Cu61  1  0.730864  0.614956  0.548334  1
  Cu  Cu62  1  0.085939  0.588407  0.564981  1
  Cu  Cu63  1  0.375526  0.641603  0.531613  1
  Cu  Cu64  1  0.932271  0.394076  0.529981  1
  Cu  Cu65  1  0.287621  0.367527  0.546704  1
  Cu  Cu66  1  0.642961  0.340867  0.563387  1
  Cu  Cu67  1  0.697961  0.154702  0.523343  1
  Cu  Cu68  1  0.053290  0.128144  0.540050  1
  Cu  Cu69  1  0.408552  0.101531  0.556768  1
  Cu  Cu70  1  0.818989  0.888963  0.533290  1
  Cu  Cu71  1  0.174165  0.862394  0.549988  1
  Cu  Cu72  1  0.529545  0.835913  0.566644  1
  Cu  Cu73  1  0.796323  0.535051  0.598494  1
  Cu  Cu74  1  0.152003  0.508901  0.614993  1
  Cu  Cu75  1  0.441514  0.561821  0.581696  1
  Cu  Cu76  1  0.998386  0.314354  0.580097  1
  Cu  Cu77  1  0.353712  0.287592  0.596822  1
  Cu  Cu78  1  0.709301  0.261482  0.613484  1
  Cu  Cu79  1  0.764059  0.074897  0.573513  1
  Cu  Cu80  1  0.119181  0.048154  0.590243  1
  Cu  Cu81  1  0.474897  0.021921  0.606944  1
  Cu  Cu82  1  0.884801  0.808982  0.583442  1
  Cu  Cu83  1  0.240232  0.782517  0.600086  1
  Cu  Cu84  1  0.594719  0.756598  0.616735  1
  Cu  Cu85  1  0.862871  0.455448  0.648765  1
  Cu  Cu86  1  0.215641  0.430726  0.664596  1
  Cu  Cu87  1  0.506471  0.481899  0.631801  1
  Cu  Cu88  1  0.064618  0.234219  0.630179  1
  Cu  Cu89  1  0.420335  0.207642  0.646929  1
  Cu  Cu90  1  0.775172  0.180488  0.663095  1
  Cu  Cu91  1  0.829761  0.994139  0.623725  1
  Cu  Cu92  1  0.186109  0.967626  0.640361  1
  Cu  Cu93  1  0.538530  0.942556  0.657367  1
  Cu  Cu94  1  0.951488  0.727705  0.633483  1
  Cu  Cu95  1  0.305244  0.704924  0.650546  1
  Cu  Cu96  1  0.659166  0.675442  0.665942  1
  Cu  Cu97  1  0.926390  0.373064  0.698615  1
  Cu  Cu98  1  0.284097  0.349025  0.712974  1
  Cu  Cu99  1  0.572954  0.400022  0.681377  1
  Cu  Cu100  1  0.134051  0.154424  0.679627  1
  Cu  Cu101  1  0.489430  0.129514  0.697486  1
  Cu  Cu102  1  0.848585  0.096812  0.711298  1
  Cu  Cu103  1  0.897139  0.912046  0.673236  1
  Cu  Cu104  1  0.248540  0.892456  0.691854  1
  Cu  Cu105  1  0.613327  0.859122  0.705926  1
  Cu  Cu106  1  0.016588  0.651037  0.684169  1
  Cu  Cu107  1  0.369476  0.622376  0.699867  1
  Cu  Cu108  1  0.725986  0.590790  0.714169  1
