# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.13318047
_cell_length_b   4.92821905
_cell_length_c   45.61961045
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.10825644
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu72
_cell_volume   1918.35708829
_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  0.811172  0.479777  0.296274  1
  Cu  Cu2  1  0.090497  0.426224  0.307528  1
  Cu  Cu3  1  0.532655  0.534185  0.284611  1
  Cu  Cu4  1  0.878929  0.941905  0.305476  1
  Cu  Cu5  1  0.325704  0.040289  0.282859  1
  Cu  Cu6  1  0.602026  0.990861  0.293750  1
  Cu  Cu7  1  0.649887  0.326006  0.332890  1
  Cu  Cu8  1  0.929985  0.272960  0.344975  1
  Cu  Cu9  1  0.368055  0.383724  0.319830  1
  Cu  Cu10  1  0.718993  0.782504  0.342494  1
  Cu  Cu11  1  0.158762  0.889879  0.317341  1
  Cu  Cu12  1  0.439870  0.837478  0.330680  1
  Cu  Cu13  1  0.488145  0.171238  0.369566  1
  Cu  Cu14  1  0.768371  0.116574  0.381998  1
  Cu  Cu15  1  0.208925  0.222622  0.356715  1
  Cu  Cu16  1  0.555674  0.627349  0.379886  1
  Cu  Cu17  1  0.997615  0.730803  0.354340  1
  Cu  Cu18  1  0.275610  0.680372  0.367139  1
  Cu  Cu19  1  0.326165  0.014438  0.406513  1
  Cu  Cu20  1  0.605665  0.961840  0.419028  1
  Cu  Cu21  1  0.047486  0.065044  0.394201  1
  Cu  Cu22  1  0.392802  0.471594  0.416768  1
  Cu  Cu23  1  0.835067  0.574702  0.392018  1
  Cu  Cu24  1  0.113779  0.523146  0.404209  1
  Cu  Cu25  1  0.164220  0.857513  0.443708  1
  Cu  Cu26  1  0.443333  0.805736  0.456073  1
  Cu  Cu27  1  0.885163  0.909200  0.431407  1
  Cu  Cu28  1  0.230683  0.315010  0.453835  1
  Cu  Cu29  1  0.672452  0.418716  0.429192  1
  Cu  Cu30  1  0.951715  0.366645  0.441484  1
  Cu  Cu31  1  1.001969  0.701263  0.480856  1
  Cu  Cu32  1  0.281159  0.649304  0.493217  1
  Cu  Cu33  1  0.722669  0.753413  0.468480  1
  Cu  Cu34  1  0.068509  0.158579  0.490994  1
  Cu  Cu35  1  0.509910  0.262913  0.466254  1
  Cu  Cu36  1  0.789272  0.210638  0.478632  1
  Cu  Cu37  1  0.839537  0.545308  0.517948  1
  Cu  Cu38  1  0.118899  0.493033  0.530326  1
  Cu  Cu39  1  0.560299  0.597367  0.505587  1
  Cu  Cu40  1  0.906140  0.002533  0.528101  1
  Cu  Cu41  1  0.347650  0.106642  0.503364  1
  Cu  Cu42  1  0.626840  0.054683  0.515724  1
  Cu  Cu43  1  0.677094  0.389301  0.555097  1
  Cu  Cu44  1  0.956357  0.337230  0.567388  1
  Cu  Cu45  1  0.398126  0.440935  0.542746  1
  Cu  Cu46  1  0.743646  0.846746  0.565173  1
  Cu  Cu47  1  0.185476  0.950210  0.540508  1
  Cu  Cu48  1  0.464589  0.898433  0.552873  1
  Cu  Cu49  1  0.515030  0.232799  0.592371  1
  Cu  Cu50  1  0.793742  0.181244  0.604563  1
  Cu  Cu51  1  0.236007  0.284352  0.579813  1
  Cu  Cu52  1  0.581323  0.690901  0.602380  1
  Cu  Cu53  1  0.023144  0.794106  0.577553  1
  Cu  Cu54  1  0.302644  0.741507  0.590067  1
  Cu  Cu55  1  0.353198  0.075573  0.629442  1
  Cu  Cu56  1  0.631194  0.025143  0.642241  1
  Cu  Cu57  1  0.073135  0.128597  0.616695  1
  Cu  Cu58  1  0.419884  0.533324  0.639865  1
  Cu  Cu59  1  0.860437  0.639372  0.614582  1
  Cu  Cu60  1  0.140664  0.584708  0.627014  1
  Cu  Cu61  1  0.188939  0.918468  0.665900  1
  Cu  Cu62  1  0.470047  0.866066  0.679240  1
  Cu  Cu63  1  0.909816  0.973441  0.654087  1
  Cu  Cu64  1  0.260753  0.372221  0.676751  1
  Cu  Cu65  1  0.698824  0.482986  0.651605  1
  Cu  Cu66  1  0.978922  0.429940  0.663691  1
  Cu  Cu67  1  0.026783  0.765084  0.702830  1
  Cu  Cu68  1  0.303104  0.715657  0.713721  1
  Cu  Cu69  1  0.749880  0.814041  0.691105  1
  Cu  Cu70  1  0.096154  0.221761  0.711970  1
  Cu  Cu71  1  0.538312  0.329722  0.689053  1
  Cu  Cu72  1  0.817637  0.276168  0.700307  1
