# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12202396
_cell_length_b   11.44069628
_cell_length_c   45.09697823
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu96
_cell_volume   2575.7476202
_cell_formula_units_Z   96
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  0.109569  0.713954  0.305585  1
  Cu  Cu2  1  0.268028  0.030929  0.323541  1
  Cu  Cu3  1  0.951433  0.397707  0.288478  1
  Cu  Cu4  1  0.951433  0.897707  0.288478  1
  Cu  Cu5  1  0.109569  0.213954  0.305585  1
  Cu  Cu6  1  0.268028  0.530929  0.323541  1
  Cu  Cu7  1  0.451433  0.897707  0.288478  1
  Cu  Cu8  1  0.609569  0.213954  0.305585  1
  Cu  Cu9  1  0.768028  0.530929  0.323541  1
  Cu  Cu10  1  0.609569  0.713954  0.305585  1
  Cu  Cu11  1  0.768028  0.030929  0.323541  1
  Cu  Cu12  1  0.451433  0.397707  0.288478  1
  Cu  Cu13  1  0.583347  0.661648  0.360391  1
  Cu  Cu14  1  0.741240  0.977463  0.379012  1
  Cu  Cu15  1  0.425527  0.345968  0.341901  1
  Cu  Cu16  1  0.425527  0.845968  0.341901  1
  Cu  Cu17  1  0.583347  0.161648  0.360391  1
  Cu  Cu18  1  0.741240  0.477463  0.379012  1
  Cu  Cu19  1  0.925527  0.845968  0.341901  1
  Cu  Cu20  1  0.083347  0.161648  0.360391  1
  Cu  Cu21  1  0.241240  0.477463  0.379012  1
  Cu  Cu22  1  0.083347  0.661648  0.360391  1
  Cu  Cu23  1  0.241240  0.977463  0.379012  1
  Cu  Cu24  1  0.925527  0.345968  0.341901  1
  Cu  Cu25  1  0.056861  0.608779  0.416177  1
  Cu  Cu26  1  0.214660  0.924417  0.434768  1
  Cu  Cu27  1  0.899015  0.293052  0.397573  1
  Cu  Cu28  1  0.899015  0.793052  0.397573  1
  Cu  Cu29  1  0.056861  0.108779  0.416177  1
  Cu  Cu30  1  0.214660  0.424417  0.434768  1
  Cu  Cu31  1  0.399015  0.793052  0.397573  1
  Cu  Cu32  1  0.556861  0.108779  0.416177  1
  Cu  Cu33  1  0.714660  0.424417  0.434768  1
  Cu  Cu34  1  0.556861  0.608779  0.416177  1
  Cu  Cu35  1  0.714660  0.924417  0.434768  1
  Cu  Cu36  1  0.399015  0.293052  0.397573  1
  Cu  Cu37  1  0.530289  0.555754  0.471953  1
  Cu  Cu38  1  0.688100  0.871415  0.490544  1
  Cu  Cu39  1  0.372477  0.240090  0.453360  1
  Cu  Cu40  1  0.372477  0.740090  0.453360  1
  Cu  Cu41  1  0.530289  0.055754  0.471953  1
  Cu  Cu42  1  0.688100  0.371415  0.490544  1
  Cu  Cu43  1  0.872477  0.740090  0.453360  1
  Cu  Cu44  1  0.030289  0.055754  0.471953  1
  Cu  Cu45  1  0.188100  0.371415  0.490544  1
  Cu  Cu46  1  0.030289  0.555754  0.471953  1
  Cu  Cu47  1  0.188100  0.871415  0.490544  1
  Cu  Cu48  1  0.872477  0.240090  0.453360  1
  Cu  Cu49  1  1.003724  0.502743  0.527728  1
  Cu  Cu50  1  0.161536  0.818406  0.546322  1
  Cu  Cu51  1  0.845913  0.187082  0.509138  1
  Cu  Cu52  1  0.845913  0.687082  0.509138  1
  Cu  Cu53  1  1.003724  1.002743  0.527728  1
  Cu  Cu54  1  0.161536  0.318406  0.546322  1
  Cu  Cu55  1  0.345913  0.687082  0.509138  1
  Cu  Cu56  1  0.503724  1.002743  0.527728  1
  Cu  Cu57  1  0.661536  0.318406  0.546322  1
  Cu  Cu58  1  0.503724  0.502743  0.527728  1
  Cu  Cu59  1  0.661536  0.818406  0.546322  1
  Cu  Cu60  1  0.345913  0.187082  0.509138  1
  Cu  Cu61  1  0.477151  0.449718  0.583504  1
  Cu  Cu62  1  0.634997  0.765444  0.602109  1
  Cu  Cu63  1  0.319353  0.134080  0.564914  1
  Cu  Cu64  1  0.319353  0.634080  0.564914  1
  Cu  Cu65  1  0.477151  0.949718  0.583504  1
  Cu  Cu66  1  0.634997  0.265444  0.602109  1
  Cu  Cu67  1  0.819353  0.634080  0.564914  1
  Cu  Cu68  1  0.977151  0.949718  0.583504  1
  Cu  Cu69  1  0.134997  0.265444  0.602109  1
  Cu  Cu70  1  0.977151  0.449718  0.583504  1
  Cu  Cu71  1  0.134997  0.765444  0.602109  1
  Cu  Cu72  1  0.819353  0.134080  0.564914  1
  Cu  Cu73  1  0.950665  0.396848  0.639290  1
  Cu  Cu74  1  0.108486  0.712529  0.657780  1
  Cu  Cu75  1  0.792773  0.081034  0.620670  1
  Cu  Cu76  1  0.792773  0.581034  0.620670  1
  Cu  Cu77  1  0.950665  0.896848  0.639290  1
  Cu  Cu78  1  0.108486  0.212529  0.657780  1
  Cu  Cu79  1  0.292773  0.581034  0.620670  1
  Cu  Cu80  1  0.450665  0.896848  0.639290  1
  Cu  Cu81  1  0.608486  0.212529  0.657780  1
  Cu  Cu82  1  0.450665  0.396848  0.639290  1
  Cu  Cu83  1  0.608486  0.712529  0.657780  1
  Cu  Cu84  1  0.292773  0.081034  0.620670  1
  Cu  Cu85  1  0.424443  0.344543  0.694097  1
  Cu  Cu86  1  0.582580  0.660790  0.711204  1
  Cu  Cu87  1  0.265985  0.027568  0.676140  1
  Cu  Cu88  1  0.265985  0.527568  0.676140  1
  Cu  Cu89  1  0.424443  0.844543  0.694097  1
  Cu  Cu90  1  0.582580  0.160790  0.711204  1
  Cu  Cu91  1  0.765985  0.527568  0.676140  1
  Cu  Cu92  1  0.924443  0.844543  0.694097  1
  Cu  Cu93  1  0.082580  0.160790  0.711204  1
  Cu  Cu94  1  0.924443  0.344543  0.694097  1
  Cu  Cu95  1  0.082580  0.660790  0.711204  1
  Cu  Cu96  1  0.765985  0.027568  0.676140  1
