# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09767246
_cell_length_b   11.30704556
_cell_length_c   49.96390203
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu108
_cell_volume   2806.97936706
_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  0.922183  0.850237  0.305919  1
  Cu  Cu2  1  0.610236  0.220797  0.275989  1
  Cu  Cu3  1  0.768010  0.535085  0.289539  1
  Cu  Cu4  1  0.084403  0.665455  0.323787  1
  Cu  Cu5  1  0.773083  0.037633  0.289647  1
  Cu  Cu6  1  0.932066  0.351459  0.305599  1
  Cu  Cu7  1  0.110236  0.720797  0.275989  1
  Cu  Cu8  1  0.268010  0.035085  0.289539  1
  Cu  Cu9  1  0.422183  0.350237  0.305919  1
  Cu  Cu10  1  0.432066  0.851459  0.305599  1
  Cu  Cu11  1  0.584403  0.165455  0.323787  1
  Cu  Cu12  1  0.273083  0.537633  0.289647  1
  Cu  Cu13  1  0.401706  0.798012  0.355782  1
  Cu  Cu14  1  0.085711  0.167005  0.321769  1
  Cu  Cu15  1  0.243464  0.482616  0.339422  1
  Cu  Cu16  1  0.559128  0.613434  0.372218  1
  Cu  Cu17  1  0.242079  0.980965  0.339018  1
  Cu  Cu18  1  0.400204  0.297947  0.355925  1
  Cu  Cu19  1  0.585711  0.667005  0.321769  1
  Cu  Cu20  1  0.743464  0.982616  0.339422  1
  Cu  Cu21  1  0.901706  0.298012  0.355782  1
  Cu  Cu22  1  0.900204  0.797947  0.355925  1
  Cu  Cu23  1  0.059128  0.113434  0.372218  1
  Cu  Cu24  1  0.742079  0.480965  0.339018  1
  Cu  Cu25  1  0.873605  0.744090  0.406048  1
  Cu  Cu26  1  0.557899  0.112811  0.372961  1
  Cu  Cu27  1  0.716005  0.428530  0.389266  1
  Cu  Cu28  1  0.031434  0.559481  0.422874  1
  Cu  Cu29  1  0.716407  0.928731  0.389392  1
  Cu  Cu30  1  0.874166  0.244079  0.405968  1
  Cu  Cu31  1  0.057899  0.612811  0.372961  1
  Cu  Cu32  1  0.216005  0.928530  0.389266  1
  Cu  Cu33  1  0.373605  0.244090  0.406048  1
  Cu  Cu34  1  0.374166  0.744079  0.405968  1
  Cu  Cu35  1  0.531434  0.059481  0.422874  1
  Cu  Cu36  1  0.216407  0.428731  0.389392  1
  Cu  Cu37  1  0.346966  0.690530  0.456162  1
  Cu  Cu38  1  0.031692  0.059681  0.422630  1
  Cu  Cu39  1  0.189242  0.375041  0.439483  1
  Cu  Cu40  1  0.504544  0.505995  0.472859  1
  Cu  Cu41  1  0.189148  0.874980  0.439434  1
  Cu  Cu42  1  0.346767  0.190510  0.456185  1
  Cu  Cu43  1  0.531692  0.559681  0.422630  1
  Cu  Cu44  1  0.689242  0.875041  0.439483  1
  Cu  Cu45  1  0.846966  0.190530  0.456162  1
  Cu  Cu46  1  0.846767  0.690510  0.456185  1
  Cu  Cu47  1  0.004544  0.005995  0.472859  1
  Cu  Cu48  1  0.689148  0.374980  0.439434  1
  Cu  Cu49  1  0.819797  0.636914  0.506312  1
  Cu  Cu50  1  0.504479  0.005954  0.472917  1
  Cu  Cu51  1  0.662134  0.321446  0.489601  1
  Cu  Cu52  1  0.977553  0.452431  0.523006  1
  Cu  Cu53  1  0.662234  0.821472  0.489610  1
  Cu  Cu54  1  0.819898  0.136939  0.506321  1
  Cu  Cu55  1  0.004479  0.505954  0.472917  1
  Cu  Cu56  1  0.162134  0.821446  0.489601  1
  Cu  Cu57  1  0.319797  0.136914  0.506312  1
  Cu  Cu58  1  0.319898  0.636939  0.506321  1
  Cu  Cu59  1  0.477553  0.952431  0.523006  1
  Cu  Cu60  1  0.162234  0.321472  0.489610  1
  Cu  Cu61  1  0.292884  0.583405  0.556489  1
  Cu  Cu62  1  0.977488  0.952390  0.523063  1
  Cu  Cu63  1  0.135265  0.267875  0.539738  1
  Cu  Cu64  1  0.450340  0.398704  0.573293  1
  Cu  Cu65  1  0.135066  0.767855  0.539760  1
  Cu  Cu66  1  0.292789  0.083344  0.556439  1
  Cu  Cu67  1  0.477488  0.452390  0.523063  1
  Cu  Cu68  1  0.635265  0.767875  0.539738  1
  Cu  Cu69  1  0.792884  0.083405  0.556489  1
  Cu  Cu70  1  0.792789  0.583344  0.556439  1
  Cu  Cu71  1  0.950340  0.898704  0.573293  1
  Cu  Cu72  1  0.635066  0.267855  0.539760  1
  Cu  Cu73  1  0.765625  0.529654  0.606530  1
  Cu  Cu74  1  0.450598  0.898904  0.573049  1
  Cu  Cu75  1  0.607866  0.214306  0.589954  1
  Cu  Cu76  1  0.924133  0.345574  0.622961  1
  Cu  Cu77  1  0.608427  0.714295  0.589875  1
  Cu  Cu78  1  0.766027  0.029855  0.606657  1
  Cu  Cu79  1  0.950598  0.398904  0.573049  1
  Cu  Cu80  1  0.107866  0.714306  0.589954  1
  Cu  Cu81  1  0.265625  0.029654  0.606530  1
  Cu  Cu82  1  0.266027  0.529855  0.606657  1
  Cu  Cu83  1  0.424133  0.845574  0.622961  1
  Cu  Cu84  1  0.108427  0.214295  0.589875  1
  Cu  Cu85  1  0.239953  0.477420  0.656905  1
  Cu  Cu86  1  0.922904  0.844951  0.623704  1
  Cu  Cu87  1  0.081828  0.160438  0.639997  1
  Cu  Cu88  1  0.396321  0.291381  0.674153  1
  Cu  Cu89  1  0.080326  0.660373  0.640140  1
  Cu  Cu90  1  0.238568  0.975769  0.656500  1
  Cu  Cu91  1  0.422904  0.344951  0.623704  1
  Cu  Cu92  1  0.581828  0.660438  0.639997  1
  Cu  Cu93  1  0.739953  0.977420  0.656905  1
  Cu  Cu94  1  0.738568  0.475769  0.656500  1
  Cu  Cu95  1  0.896321  0.791381  0.674153  1
  Cu  Cu96  1  0.580326  0.160373  0.640140  1
  Cu  Cu97  1  0.708949  0.420753  0.706276  1
  Cu  Cu98  1  0.397629  0.792930  0.672136  1
  Cu  Cu99  1  0.549965  0.106926  0.690323  1
  Cu  Cu100  1  0.871796  0.237588  0.719934  1
  Cu  Cu101  1  0.559849  0.608148  0.690003  1
  Cu  Cu102  1  0.714022  0.923300  0.706384  1
  Cu  Cu103  1  0.897629  0.292930  0.672136  1
  Cu  Cu104  1  0.049965  0.606926  0.690323  1
  Cu  Cu105  1  0.208949  0.920753  0.706276  1
  Cu  Cu106  1  0.214022  0.423300  0.706384  1
  Cu  Cu107  1  0.371796  0.737588  0.719934  1
  Cu  Cu108  1  0.059849  0.108148  0.690003  1
