# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41182831
_cell_length_b   6.40057767
_cell_length_c   46.91189416
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu72
_cell_volume   1886.33855912
_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  0.660223  0.661705  0.295932  1
  Cu  Cu2  1  0.160223  0.161705  0.295932  1
  Cu  Cu3  1  0.035674  0.537229  0.313947  1
  Cu  Cu4  1  0.535674  0.037229  0.313947  1
  Cu  Cu5  1  0.410223  0.411705  0.295932  1
  Cu  Cu6  1  0.910223  0.911705  0.295932  1
  Cu  Cu7  1  0.785674  0.287229  0.313947  1
  Cu  Cu8  1  0.285674  0.787229  0.313947  1
  Cu  Cu9  1  0.533124  0.534583  0.344572  1
  Cu  Cu10  1  0.033124  0.034583  0.344572  1
  Cu  Cu11  1  0.909058  0.410603  0.362578  1
  Cu  Cu12  1  0.409058  0.910603  0.362578  1
  Cu  Cu13  1  0.283124  0.284583  0.344572  1
  Cu  Cu14  1  0.783124  0.784583  0.344572  1
  Cu  Cu15  1  0.659058  0.160603  0.362578  1
  Cu  Cu16  1  0.159058  0.660603  0.362578  1
  Cu  Cu17  1  0.404702  0.406016  0.393381  1
  Cu  Cu18  1  0.904702  0.906016  0.393381  1
  Cu  Cu19  1  0.781200  0.282623  0.411349  1
  Cu  Cu20  1  0.281200  0.782623  0.411349  1
  Cu  Cu21  1  0.154702  0.156016  0.393381  1
  Cu  Cu22  1  0.654702  0.656016  0.393381  1
  Cu  Cu23  1  0.531200  0.032623  0.411349  1
  Cu  Cu24  1  0.031200  0.532623  0.411349  1
  Cu  Cu25  1  0.275404  0.276678  0.442162  1
  Cu  Cu26  1  0.775404  0.776678  0.442162  1
  Cu  Cu27  1  0.651959  0.153318  0.460139  1
  Cu  Cu28  1  0.151959  0.653318  0.460139  1
  Cu  Cu29  1  0.025404  0.026678  0.442162  1
  Cu  Cu30  1  0.525404  0.526678  0.442162  1
  Cu  Cu31  1  0.401959  0.903318  0.460139  1
  Cu  Cu32  1  0.901959  0.403318  0.460139  1
  Cu  Cu33  1  0.145266  0.146580  0.490953  1
  Cu  Cu34  1  0.645266  0.646580  0.490953  1
  Cu  Cu35  1  0.522426  0.023567  0.508920  1
  Cu  Cu36  1  0.022426  0.523567  0.508920  1
  Cu  Cu37  1  0.895266  0.896580  0.490953  1
  Cu  Cu38  1  0.395266  0.396580  0.490953  1
  Cu  Cu39  1  0.272426  0.773567  0.508920  1
  Cu  Cu40  1  0.772426  0.273567  0.508920  1
  Cu  Cu41  1  0.015733  0.016830  0.539734  1
  Cu  Cu42  1  0.515733  0.516830  0.539734  1
  Cu  Cu43  1  0.392288  0.893470  0.557711  1
  Cu  Cu44  1  0.892288  0.393470  0.557711  1
  Cu  Cu45  1  0.765733  0.766830  0.539734  1
  Cu  Cu46  1  0.265733  0.266830  0.539734  1
  Cu  Cu47  1  0.142288  0.643470  0.557711  1
  Cu  Cu48  1  0.642288  0.143470  0.557711  1
  Cu  Cu49  1  0.886492  0.887524  0.588524  1
  Cu  Cu50  1  0.386492  0.387524  0.588524  1
  Cu  Cu51  1  0.262990  0.764132  0.606491  1
  Cu  Cu52  1  0.762990  0.264132  0.606491  1
  Cu  Cu53  1  0.636492  0.637524  0.588524  1
  Cu  Cu54  1  0.136492  0.137524  0.588524  1
  Cu  Cu55  1  0.012990  0.514132  0.606491  1
  Cu  Cu56  1  0.512990  0.014132  0.606491  1
  Cu  Cu57  1  0.758634  0.759545  0.637294  1
  Cu  Cu58  1  0.258634  0.259545  0.637294  1
  Cu  Cu59  1  0.134568  0.635565  0.655301  1
  Cu  Cu60  1  0.634568  0.135565  0.655301  1
  Cu  Cu61  1  0.508634  0.509545  0.637294  1
  Cu  Cu62  1  0.008634  0.009545  0.637294  1
  Cu  Cu63  1  0.884568  0.385565  0.655301  1
  Cu  Cu64  1  0.384568  0.885565  0.655301  1
  Cu  Cu65  1  0.632018  0.632919  0.685926  1
  Cu  Cu66  1  0.132018  0.132919  0.685926  1
  Cu  Cu67  1  0.007468  0.508442  0.703941  1
  Cu  Cu68  1  0.507468  0.008442  0.703941  1
  Cu  Cu69  1  0.382018  0.382919  0.685926  1
  Cu  Cu70  1  0.882018  0.882919  0.685926  1
  Cu  Cu71  1  0.757468  0.258442  0.703941  1
  Cu  Cu72  1  0.257468  0.758442  0.703941  1
