# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14146097
_cell_length_b   4.85367002
_cell_length_c   45.70735775
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.72524604
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu72
_cell_volume   1889.81172639
_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  0.908052  0.019294  0.278719  1
  Cu  Cu2  1  0.185221  0.962816  0.289498  1
  Cu  Cu3  1  0.463692  0.908785  0.301207  1
  Cu  Cu4  1  0.972210  0.475028  0.287404  1
  Cu  Cu5  1  0.250810  0.422090  0.298638  1
  Cu  Cu6  1  0.532879  0.365984  0.310046  1
  Cu  Cu7  1  0.741803  0.852366  0.313014  1
  Cu  Cu8  1  0.023743  0.799864  0.326212  1
  Cu  Cu9  1  0.304017  0.744437  0.337917  1
  Cu  Cu10  1  0.809782  0.312286  0.323493  1
  Cu  Cu11  1  0.090749  0.255177  0.335603  1
  Cu  Cu12  1  0.370378  0.202408  0.347401  1
  Cu  Cu13  1  0.581480  0.691060  0.350192  1
  Cu  Cu14  1  0.861450  0.637794  0.362400  1
  Cu  Cu15  1  0.142225  0.581328  0.374958  1
  Cu  Cu16  1  0.648798  0.146884  0.359796  1
  Cu  Cu17  1  0.928731  0.093337  0.372650  1
  Cu  Cu18  1  0.209309  0.037529  0.384859  1
  Cu  Cu19  1  0.421535  0.526558  0.387244  1
  Cu  Cu20  1  0.700749  0.473006  0.399516  1
  Cu  Cu21  1  0.980571  0.419139  0.411948  1
  Cu  Cu22  1  0.488440  0.983520  0.397167  1
  Cu  Cu23  1  0.767899  0.929095  0.409572  1
  Cu  Cu24  1  0.047977  0.874648  0.422045  1
  Cu  Cu25  1  0.260384  0.363981  0.424401  1
  Cu  Cu26  1  0.540066  0.309545  0.436735  1
  Cu  Cu27  1  0.819687  0.255398  0.449067  1
  Cu  Cu28  1  0.327747  0.819822  0.434402  1
  Cu  Cu29  1  0.607367  0.765433  0.446752  1
  Cu  Cu30  1  0.887031  0.711223  0.459150  1
  Cu  Cu31  1  0.099364  0.201010  0.461490  1
  Cu  Cu32  1  0.379171  0.146331  0.473874  1
  Cu  Cu33  1  0.658909  0.091886  0.486241  1
  Cu  Cu34  1  0.166788  0.656708  0.471562  1
  Cu  Cu35  1  0.446565  0.602093  0.483930  1
  Cu  Cu36  1  0.726283  0.547665  0.496306  1
  Cu  Cu37  1  0.938537  0.037630  0.498632  1
  Cu  Cu38  1  0.218255  0.983202  0.511009  1
  Cu  Cu39  1  0.498032  0.928586  0.523376  1
  Cu  Cu40  1  0.005912  0.493408  0.508698  1
  Cu  Cu41  1  0.285650  0.438963  0.521064  1
  Cu  Cu42  1  0.565457  0.384284  0.533449  1
  Cu  Cu43  1  0.777790  0.874072  0.535788  1
  Cu  Cu44  1  0.057453  0.819862  0.548187  1
  Cu  Cu45  1  0.337074  0.765473  0.560536  1
  Cu  Cu46  1  0.845133  0.329896  0.545872  1
  Cu  Cu47  1  0.124754  0.275750  0.558204  1
  Cu  Cu48  1  0.404437  0.221313  0.570537  1
  Cu  Cu49  1  0.616843  0.710646  0.572894  1
  Cu  Cu50  1  0.896922  0.656199  0.585366  1
  Cu  Cu51  1  0.176380  0.601775  0.597771  1
  Cu  Cu52  1  0.684249  0.166156  0.582990  1
  Cu  Cu53  1  0.964072  0.112288  0.595423  1
  Cu  Cu54  1  0.243285  0.058736  0.607694  1
  Cu  Cu55  1  0.455512  0.547765  0.610079  1
  Cu  Cu56  1  0.736089  0.491957  0.622288  1
  Cu  Cu57  1  0.016022  0.438410  0.635142  1
  Cu  Cu58  1  0.522595  0.003967  0.619980  1
  Cu  Cu59  1  0.803371  0.947501  0.632538  1
  Cu  Cu60  1  0.083341  0.894235  0.644746  1
  Cu  Cu61  1  0.294443  0.382887  0.647537  1
  Cu  Cu62  1  0.574071  0.330117  0.659335  1
  Cu  Cu63  1  0.855038  0.273009  0.671446  1
  Cu  Cu64  1  0.360804  0.840857  0.657022  1
  Cu  Cu65  1  0.641077  0.785430  0.668726  1
  Cu  Cu66  1  0.923018  0.732928  0.681924  1
  Cu  Cu67  1  0.131941  0.219310  0.684892  1
  Cu  Cu68  1  0.414010  0.163204  0.696300  1
  Cu  Cu69  1  0.692610  0.110266  0.707535  1
  Cu  Cu70  1  0.201129  0.676509  0.693732  1
  Cu  Cu71  1  0.479599  0.622478  0.705441  1
  Cu  Cu72  1  0.756768  0.566001  0.716219  1
