# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37074874
_cell_length_b   8.76541268
_cell_length_c   49.20178945
_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   1884.99024575
_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  0.007738  0.986288  0.301855  1
  Cu  Cu2  1  0.513009  0.034017  0.279460  1
  Cu  Cu3  1  0.351315  0.760571  0.289559  1
  Cu  Cu4  1  0.843853  0.721783  0.314476  1
  Cu  Cu5  1  0.997307  0.534017  0.279460  1
  Cu  Cu6  1  0.502578  0.486288  0.301855  1
  Cu  Cu7  1  0.159000  0.260571  0.289559  1
  Cu  Cu8  1  0.666462  0.221783  0.314476  1
  Cu  Cu9  1  0.006698  0.907945  0.352094  1
  Cu  Cu10  1  0.506317  0.948726  0.327827  1
  Cu  Cu11  1  0.343670  0.677465  0.339193  1
  Cu  Cu12  1  0.843051  0.637918  0.364405  1
  Cu  Cu13  1  1.003999  0.448726  0.327827  1
  Cu  Cu14  1  0.503618  0.407945  0.352094  1
  Cu  Cu15  1  0.166646  0.177465  0.339193  1
  Cu  Cu16  1  0.667265  0.137918  0.364405  1
  Cu  Cu17  1  0.005532  0.825357  0.402179  1
  Cu  Cu18  1  0.505743  0.866074  0.377237  1
  Cu  Cu19  1  0.342948  0.596052  0.389499  1
  Cu  Cu20  1  0.843200  0.554871  0.414587  1
  Cu  Cu21  1  1.004572  0.366074  0.377237  1
  Cu  Cu22  1  0.504784  0.325357  0.402179  1
  Cu  Cu23  1  0.167367  0.096052  0.389499  1
  Cu  Cu24  1  0.667116  0.054871  0.414587  1
  Cu  Cu25  1  0.005241  0.742878  0.452276  1
  Cu  Cu26  1  0.505348  0.784038  0.427257  1
  Cu  Cu27  1  0.343332  0.513593  0.439681  1
  Cu  Cu28  1  0.843456  0.472375  0.464750  1
  Cu  Cu29  1  1.004968  0.284038  0.427257  1
  Cu  Cu30  1  0.505075  0.242878  0.452276  1
  Cu  Cu31  1  0.166984  0.013593  0.439681  1
  Cu  Cu32  1  0.666859  0.972375  0.464750  1
  Cu  Cu33  1  0.005172  0.660425  0.502399  1
  Cu  Cu34  1  0.505193  0.701647  0.477345  1
  Cu  Cu35  1  0.343580  0.431106  0.489819  1
  Cu  Cu36  1  0.843699  0.389883  0.514874  1
  Cu  Cu37  1  1.005123  0.201647  0.477345  1
  Cu  Cu38  1  0.505144  0.160425  0.502399  1
  Cu  Cu39  1  0.166736  0.931106  0.489819  1
  Cu  Cu40  1  0.666617  0.889883  0.514874  1
  Cu  Cu41  1  0.005159  0.577912  0.552541  1
  Cu  Cu42  1  0.505153  0.619142  0.527472  1
  Cu  Cu43  1  0.343817  0.348633  0.539940  1
  Cu  Cu44  1  0.843990  0.307433  0.564964  1
  Cu  Cu45  1  0.005163  0.119142  0.527472  1
  Cu  Cu46  1  0.505157  0.077912  0.552541  1
  Cu  Cu47  1  0.166499  0.848633  0.539940  1
  Cu  Cu48  1  0.666326  0.807433  0.564964  1
  Cu  Cu49  1  0.005170  0.495400  0.602729  1
  Cu  Cu50  1  0.505159  0.536533  0.577642  1
  Cu  Cu51  1  0.344121  0.266115  0.590043  1
  Cu  Cu52  1  0.844553  0.225145  0.614977  1
  Cu  Cu53  1  1.005157  0.036533  0.577642  1
  Cu  Cu54  1  0.505146  0.995400  0.602729  1
  Cu  Cu55  1  0.166195  0.766115  0.590043  1
  Cu  Cu56  1  0.665763  0.725145  0.614977  1
  Cu  Cu57  1  0.005880  0.413373  0.652973  1
  Cu  Cu58  1  0.505272  0.453190  0.627868  1
  Cu  Cu59  1  0.344091  0.183244  0.640131  1
  Cu  Cu60  1  0.845947  0.142790  0.664428  1
  Cu  Cu61  1  1.005044  0.953190  0.627868  1
  Cu  Cu62  1  0.504435  0.913373  0.652973  1
  Cu  Cu63  1  0.166225  0.683244  0.640131  1
  Cu  Cu64  1  0.664369  0.642790  0.664428  1
  Cu  Cu65  1  0.009459  0.329249  0.702721  1
  Cu  Cu66  1  0.506414  0.369306  0.677928  1
  Cu  Cu67  1  0.346227  0.102489  0.690165  1
  Cu  Cu68  1  0.841978  0.056590  0.712706  1
  Cu  Cu69  1  1.003902  0.869306  0.677928  1
  Cu  Cu70  1  0.500857  0.829249  0.702721  1
  Cu  Cu71  1  0.164089  0.602489  0.690165  1
  Cu  Cu72  1  0.668338  0.556590  0.712706  1
