# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06035742
_cell_length_b   8.05298859
_cell_length_c   47.25617035
_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   3005.42243583
_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  0.824493  0.825911  0.347205  1
  Cu  Cu2  1  0.494405  0.496147  0.286230  1
  Cu  Cu3  1  0.413447  0.910143  0.315587  1
  Cu  Cu4  1  0.908708  0.414898  0.315586  1
  Cu  Cu5  1  0.660226  0.661645  0.315284  1
  Cu  Cu6  1  0.158175  0.159606  0.314816  1
  Cu  Cu7  1  0.247348  0.743862  0.286553  1
  Cu  Cu8  1  0.742122  0.249085  0.286550  1
  Cu  Cu9  1  0.954492  0.707095  0.300826  1
  Cu  Cu10  1  0.453590  0.204328  0.300604  1
  Cu  Cu11  1  0.367223  0.619078  0.332017  1
  Cu  Cu12  1  0.868842  0.118300  0.331378  1
  Cu  Cu13  1  0.705503  0.956017  0.300825  1
  Cu  Cu14  1  0.202786  0.455120  0.300604  1
  Cu  Cu15  1  0.116830  0.870317  0.331393  1
  Cu  Cu16  1  0.617587  0.368722  0.332016  1
  Cu  Cu17  1  0.658497  0.659661  0.409650  1
  Cu  Cu18  1  0.324620  0.326035  0.346623  1
  Cu  Cu19  1  0.241691  0.744304  0.378467  1
  Cu  Cu20  1  0.743012  0.242993  0.378462  1
  Cu  Cu21  1  0.491896  0.493201  0.378581  1
  Cu  Cu22  1  0.992196  0.993515  0.378282  1
  Cu  Cu23  1  0.075450  0.578099  0.346809  1
  Cu  Cu24  1  0.576698  0.076863  0.346810  1
  Cu  Cu25  1  0.784119  0.535500  0.362606  1
  Cu  Cu26  1  0.283795  0.035593  0.362078  1
  Cu  Cu27  1  0.200059  0.451451  0.393765  1
  Cu  Cu28  1  0.700299  0.951575  0.394023  1
  Cu  Cu29  1  0.534176  0.785441  0.362605  1
  Cu  Cu30  1  0.034267  0.285099  0.362072  1
  Cu  Cu31  1  0.950342  0.701540  0.394022  1
  Cu  Cu32  1  0.450221  0.201298  0.393767  1
  Cu  Cu33  1  0.490973  0.491913  0.472251  1
  Cu  Cu34  1  0.158439  0.159607  0.409369  1
  Cu  Cu35  1  0.074762  0.575681  0.440911  1
  Cu  Cu36  1  0.574623  0.075819  0.440912  1
  Cu  Cu37  1  0.324650  0.325708  0.440804  1
  Cu  Cu38  1  0.824695  0.825752  0.441000  1
  Cu  Cu39  1  0.908845  0.409366  0.409522  1
  Cu  Cu40  1  0.408204  0.910005  0.409524  1
  Cu  Cu41  1  0.616745  0.367483  0.425330  1
  Cu  Cu42  1  0.116415  0.867943  0.425353  1
  Cu  Cu43  1  0.033008  0.283741  0.456551  1
  Cu  Cu44  1  0.532745  0.783985  0.456604  1
  Cu  Cu45  1  0.366363  0.617860  0.425332  1
  Cu  Cu46  1  0.866818  0.117539  0.425352  1
  Cu  Cu47  1  0.782993  0.533739  0.456603  1
  Cu  Cu48  1  0.282744  0.034004  0.456551  1
  Cu  Cu49  1  0.323486  0.324189  0.534876  1
  Cu  Cu50  1  0.990996  0.991938  0.472332  1
  Cu  Cu51  1  0.907390  0.407974  0.503608  1
  Cu  Cu52  1  0.407152  0.908211  0.503608  1
  Cu  Cu53  1  0.157262  0.158083  0.503605  1
  Cu  Cu54  1  0.657266  0.658087  0.503612  1
  Cu  Cu55  1  0.741087  0.241845  0.472293  1
  Cu  Cu56  1  0.240904  0.742028  0.472293  1
  Cu  Cu57  1  0.449058  0.200027  0.487879  1
  Cu  Cu58  1  0.949144  0.699950  0.487956  1
  Cu  Cu59  1  0.865455  0.116109  0.519300  1
  Cu  Cu60  1  0.365340  0.616220  0.519225  1
  Cu  Cu61  1  0.199146  0.449940  0.487879  1
  Cu  Cu62  1  0.699069  0.950024  0.487956  1
  Cu  Cu63  1  0.615458  0.366102  0.519225  1
  Cu  Cu64  1  0.115348  0.866215  0.519300  1
  Cu  Cu65  1  0.156114  0.156588  0.597828  1
  Cu  Cu66  1  0.823516  0.824222  0.534975  1
  Cu  Cu67  1  0.739938  0.240297  0.566229  1
  Cu  Cu68  1  0.239717  0.740517  0.566230  1
  Cu  Cu69  1  0.989827  0.990407  0.566328  1
  Cu  Cu70  1  0.489788  0.490370  0.566113  1
  Cu  Cu71  1  0.573432  0.074296  0.534925  1
  Cu  Cu72  1  0.073592  0.574137  0.534925  1
  Cu  Cu73  1  0.281536  0.032444  0.550662  1
  Cu  Cu74  1  0.781826  0.532185  0.550618  1
  Cu  Cu75  1  0.697699  0.948694  0.581958  1
  Cu  Cu76  1  0.198049  0.448181  0.581915  1
  Cu  Cu77  1  0.031801  0.282182  0.550661  1
  Cu  Cu78  1  0.531537  0.782475  0.550619  1
  Cu  Cu79  1  0.447650  0.198572  0.581916  1
  Cu  Cu80  1  0.948157  0.698234  0.581957  1
  Cu  Cu81  1  0.987679  0.987893  0.660405  1
  Cu  Cu82  1  0.656035  0.656513  0.597551  1
  Cu  Cu83  1  0.571558  0.073553  0.629003  1
  Cu  Cu84  1  0.073200  0.571917  0.628997  1
  Cu  Cu85  1  0.822164  0.822545  0.628800  1
  Cu  Cu86  1  0.321974  0.322331  0.629120  1
  Cu  Cu87  1  0.405750  0.906952  0.597706  1
  Cu  Cu88  1  0.906480  0.406222  0.597703  1
  Cu  Cu89  1  0.114224  0.864795  0.613293  1
  Cu  Cu90  1  0.614128  0.364587  0.612986  1
  Cu  Cu91  1  0.530374  0.781311  0.644577  1
  Cu  Cu92  1  0.030961  0.281116  0.645124  1
  Cu  Cu93  1  0.864403  0.114626  0.613293  1
  Cu  Cu94  1  0.364197  0.614531  0.612988  1
  Cu  Cu95  1  0.280805  0.031272  0.645123  1
  Cu  Cu96  1  0.780992  0.530665  0.644571  1
  Cu  Cu97  1  0.820468  0.820393  0.719876  1
  Cu  Cu98  1  0.488845  0.489051  0.659661  1
  Cu  Cu99  1  0.406199  0.902231  0.691653  1
  Cu  Cu100  1  0.902046  0.406410  0.691654  1
  Cu  Cu101  1  0.652609  0.652796  0.691063  1
  Cu  Cu102  1  0.152196  0.152367  0.691319  1
  Cu  Cu103  1  0.240349  0.739483  0.659894  1
  Cu  Cu104  1  0.739275  0.240552  0.659893  1
  Cu  Cu105  1  0.948484  0.695137  0.675579  1
  Cu  Cu106  1  0.445656  0.197627  0.676302  1
  Cu  Cu107  1  0.361818  0.610589  0.705620  1
  Cu  Cu108  1  0.859587  0.111255  0.706148  1
  Cu  Cu109  1  0.694919  0.948723  0.675597  1
  Cu  Cu110  1  0.197392  0.445893  0.676298  1
  Cu  Cu111  1  0.111178  0.859556  0.706147  1
  Cu  Cu112  1  0.610593  0.361821  0.705621  1
