# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53755035
_cell_length_b   17.89642457
_cell_length_c   47.50801236
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.07295095
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2152.03620012
_cell_formula_units_Z   80
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  0.312558  0.180476  0.305111  1
  Cu  Cu2  1  0.572725  0.700752  0.284895  1
  Cu  Cu3  1  0.380925  0.317208  0.293267  1
  Cu  Cu4  1  0.120169  0.795532  0.313832  1
  Cu  Cu5  1  0.942702  0.440586  0.294584  1
  Cu  Cu6  1  0.682046  0.919175  0.315548  1
  Cu  Cu7  1  0.504678  0.564449  0.295851  1
  Cu  Cu8  1  0.244010  0.043068  0.316806  1
  Cu  Cu9  1  0.789646  0.134521  0.348071  1
  Cu  Cu10  1  0.050644  0.656518  0.327138  1
  Cu  Cu11  1  0.858430  0.272205  0.336056  1
  Cu  Cu12  1  0.597476  0.750173  0.357084  1
  Cu  Cu13  1  0.420091  0.395397  0.337472  1
  Cu  Cu14  1  0.159201  0.873541  0.358546  1
  Cu  Cu15  1  0.981776  0.518685  0.338880  1
  Cu  Cu16  1  0.720863  0.996816  0.359937  1
  Cu  Cu17  1  0.266730  0.088654  0.391430  1
  Cu  Cu18  1  0.528009  0.611224  0.370118  1
  Cu  Cu19  1  0.335637  0.226573  0.379313  1
  Cu  Cu20  1  0.074531  0.704292  0.400770  1
  Cu  Cu21  1  0.897390  0.349992  0.380975  1
  Cu  Cu22  1  0.636291  0.827742  0.402161  1
  Cu  Cu23  1  0.459117  0.473372  0.382461  1
  Cu  Cu24  1  0.197988  0.951078  0.403644  1
  Cu  Cu25  1  0.744030  0.043243  0.435049  1
  Cu  Cu26  1  0.005381  0.565957  0.413579  1
  Cu  Cu27  1  0.812875  0.181022  0.422800  1
  Cu  Cu28  1  0.551742  0.658717  0.444436  1
  Cu  Cu29  1  0.374610  0.304423  0.424482  1
  Cu  Cu30  1  0.113504  0.782176  0.445818  1
  Cu  Cu31  1  0.936381  0.427900  0.426030  1
  Cu  Cu32  1  0.675203  0.905513  0.447328  1
  Cu  Cu33  1  0.221312  0.997803  0.478658  1
  Cu  Cu34  1  0.482647  0.520483  0.457103  1
  Cu  Cu35  1  0.290176  0.135610  0.466365  1
  Cu  Cu36  1  0.028959  0.613149  0.488043  1
  Cu  Cu37  1  0.851875  0.258948  0.468008  1
  Cu  Cu38  1  0.590745  0.736658  0.489449  1
  Cu  Cu39  1  0.413626  0.382389  0.469572  1
  Cu  Cu40  1  0.152455  0.860017  0.490974  1
  Cu  Cu41  1  0.698597  0.952372  0.522265  1
  Cu  Cu42  1  0.959872  0.474933  0.500666  1
  Cu  Cu43  1  0.767461  0.090175  0.509955  1
  Cu  Cu44  1  0.506182  0.567593  0.531613  1
  Cu  Cu45  1  0.329154  0.213503  0.511566  1
  Cu  Cu46  1  0.068000  0.691164  0.533039  1
  Cu  Cu47  1  0.890878  0.336892  0.513129  1
  Cu  Cu48  1  0.629731  0.814561  0.534591  1
  Cu  Cu49  1  0.175899  0.906970  0.565874  1
  Cu  Cu50  1  0.437075  0.429340  0.544274  1
  Cu  Cu51  1  0.244734  0.044721  0.553567  1
  Cu  Cu52  1  0.983407  0.522039  0.575151  1
  Cu  Cu53  1  0.806440  0.168077  0.555145  1
  Cu  Cu54  1  0.545263  0.645682  0.576579  1
  Cu  Cu55  1  0.368140  0.291420  0.556713  1
  Cu  Cu56  1  0.107044  0.769172  0.578176  1
  Cu  Cu57  1  0.653249  0.861655  0.609495  1
  Cu  Cu58  1  0.914253  0.383706  0.587963  1
  Cu  Cu59  1  0.721996  0.999246  0.597229  1
  Cu  Cu60  1  0.460659  0.476541  0.618657  1
  Cu  Cu61  1  0.283698  0.122595  0.598712  1
  Cu  Cu62  1  0.022495  0.600138  0.620078  1
  Cu  Cu63  1  0.845450  0.246042  0.600329  1
  Cu  Cu64  1  0.584321  0.723697  0.621675  1
  Cu  Cu65  1  0.130422  0.815962  0.652856  1
  Cu  Cu66  1  0.391406  0.338036  0.631813  1
  Cu  Cu67  1  0.199218  0.953693  0.640917  1
  Cu  Cu68  1  0.938125  0.431479  0.661976  1
  Cu  Cu69  1  0.760924  0.077053  0.642268  1
  Cu  Cu70  1  0.499852  0.554844  0.663551  1
  Cu  Cu71  1  0.322569  0.200266  0.643717  1
  Cu  Cu72  1  0.061586  0.678184  0.664926  1
  Cu  Cu73  1  0.607586  0.770166  0.695806  1
  Cu  Cu74  1  0.868446  0.292164  0.675269  1
  Cu  Cu75  1  0.676191  0.907668  0.684062  1
  Cu  Cu76  1  0.416053  0.387375  0.704385  1
  Cu  Cu77  1  0.238224  0.031674  0.685158  1
  Cu  Cu78  1  0.977523  0.510216  0.706382  1
  Cu  Cu79  1  0.800033  0.155124  0.686621  1
  Cu  Cu80  1  0.539241  0.633478  0.707723  1
