# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42851591
_cell_length_b   8.76326568
_cell_length_c   49.25572150
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu72
_cell_volume   1911.52892109
_cell_formula_units_Z   72
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  0.004535  0.988394  0.299503  1
  Cu  Cu2  1  0.502761  0.947924  0.323337  1
  Cu  Cu3  1  0.334823  0.756848  0.287740  1
  Cu  Cu4  1  0.835949  0.717988  0.311436  1
  Cu  Cu5  1  0.003198  0.528607  0.276456  1
  Cu  Cu6  1  0.504479  0.486952  0.299344  1
  Cu  Cu7  1  0.171811  0.260468  0.288184  1
  Cu  Cu8  1  0.670721  0.217907  0.311243  1
  Cu  Cu9  1  0.003467  0.903404  0.348512  1
  Cu  Cu10  1  0.502881  0.861239  0.373552  1
  Cu  Cu11  1  0.336947  0.674835  0.336123  1
  Cu  Cu12  1  0.837322  0.632317  0.361305  1
  Cu  Cu13  1  0.003142  0.446570  0.324311  1
  Cu  Cu14  1  0.502177  0.402729  0.348720  1
  Cu  Cu15  1  0.168277  0.174443  0.336445  1
  Cu  Cu16  1  0.667929  0.131643  0.361089  1
  Cu  Cu17  1  1.002575  0.818569  0.398759  1
  Cu  Cu18  1  0.502448  0.775933  0.423847  1
  Cu  Cu19  1  0.338209  0.589685  0.386264  1
  Cu  Cu20  1  0.838575  0.547175  0.411429  1
  Cu  Cu21  1  1.001937  0.360725  0.373920  1
  Cu  Cu22  1  0.502454  0.318188  0.398844  1
  Cu  Cu23  1  0.166912  0.089414  0.386299  1
  Cu  Cu24  1  0.666373  0.047068  0.411353  1
  Cu  Cu25  1  1.002497  0.733355  0.448985  1
  Cu  Cu26  1  0.502508  0.690741  0.474072  1
  Cu  Cu27  1  0.338773  0.504564  0.436466  1
  Cu  Cu28  1  0.838883  0.461996  0.461571  1
  Cu  Cu29  1  1.002578  0.275741  0.423965  1
  Cu  Cu30  1  0.502584  0.233225  0.449019  1
  Cu  Cu31  1  0.166170  0.004519  0.436464  1
  Cu  Cu32  1  0.666068  0.961963  0.461545  1
  Cu  Cu33  1  1.002538  0.648169  0.499179  1
  Cu  Cu34  1  0.502548  0.605597  0.524263  1
  Cu  Cu35  1  0.338915  0.419414  0.486643  1
  Cu  Cu36  1  0.838915  0.376840  0.511736  1
  Cu  Cu37  1  1.002548  0.190657  0.474117  1
  Cu  Cu38  1  0.502538  0.148085  0.499200  1
  Cu  Cu39  1  0.166047  0.919411  0.486647  1
  Cu  Cu40  1  0.666047  0.876843  0.511733  1
  Cu  Cu41  1  1.002584  0.563029  0.549360  1
  Cu  Cu42  1  0.502578  0.520513  0.574415  1
  Cu  Cu43  1  0.338883  0.334258  0.536808  1
  Cu  Cu44  1  0.838773  0.291691  0.561914  1
  Cu  Cu45  1  1.002508  0.105513  0.524307  1
  Cu  Cu46  1  0.502497  0.062899  0.549395  1
  Cu  Cu47  1  0.166068  0.834291  0.536834  1
  Cu  Cu48  1  0.666170  0.791735  0.561916  1
  Cu  Cu49  1  1.002454  0.478066  0.599535  1
  Cu  Cu50  1  0.501937  0.435529  0.624460  1
  Cu  Cu51  1  0.338575  0.249079  0.586950  1
  Cu  Cu52  1  0.838209  0.206570  0.612116  1
  Cu  Cu53  1  1.002448  0.020321  0.574533  1
  Cu  Cu54  1  0.502575  0.977685  0.599620  1
  Cu  Cu55  1  0.166373  0.749186  0.587026  1
  Cu  Cu56  1  0.666912  0.706840  0.612080  1
  Cu  Cu57  1  1.002177  0.393525  0.649660  1
  Cu  Cu58  1  0.503142  0.349684  0.674069  1
  Cu  Cu59  1  0.337322  0.163937  0.637075  1
  Cu  Cu60  1  0.836947  0.121419  0.662257  1
  Cu  Cu61  1  0.002881  0.935015  0.624827  1
  Cu  Cu62  1  0.503467  0.892850  0.649867  1
  Cu  Cu63  1  0.167929  0.664611  0.637291  1
  Cu  Cu64  1  0.668277  0.621811  0.661935  1
  Cu  Cu65  1  0.004479  0.309302  0.699036  1
  Cu  Cu66  1  0.503198  0.267647  0.721924  1
  Cu  Cu67  1  0.335949  0.078266  0.686944  1
  Cu  Cu68  1  0.834823  0.039406  0.710640  1
  Cu  Cu69  1  1.002761  0.848330  0.675042  1
  Cu  Cu70  1  0.504535  0.807860  0.698877  1
  Cu  Cu71  1  0.170721  0.578347  0.687137  1
  Cu  Cu72  1  0.671811  0.535787  0.710196  1
