# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91444983
_cell_length_b   10.94516518
_cell_length_c   48.20542692
_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   Cu108
_cell_volume   2527.28931879
_cell_formula_units_Z   108
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  0.348381  0.190500  0.298070  1
  Cu  Cu2  1  0.507139  0.508259  0.315071  1
  Cu  Cu3  1  0.191511  0.876862  0.283873  1
  Cu  Cu4  1  0.507139  0.008259  0.315071  1
  Cu  Cu5  1  0.191511  0.376862  0.283873  1
  Cu  Cu6  1  0.348381  0.690500  0.298070  1
  Cu  Cu7  1  0.007139  0.008259  0.315071  1
  Cu  Cu8  1  0.691511  0.376862  0.283873  1
  Cu  Cu9  1  0.848381  0.690500  0.298070  1
  Cu  Cu10  1  0.848381  0.190500  0.298070  1
  Cu  Cu11  1  0.007139  0.508259  0.315071  1
  Cu  Cu12  1  0.691511  0.876862  0.283873  1
  Cu  Cu13  1  0.822232  0.138696  0.347993  1
  Cu  Cu14  1  0.979769  0.453876  0.364633  1
  Cu  Cu15  1  0.663823  0.821749  0.331439  1
  Cu  Cu16  1  0.979769  0.953876  0.364633  1
  Cu  Cu17  1  0.663823  0.321749  0.331439  1
  Cu  Cu18  1  0.822232  0.638696  0.347993  1
  Cu  Cu19  1  0.479769  0.953876  0.364633  1
  Cu  Cu20  1  0.163823  0.321749  0.331439  1
  Cu  Cu21  1  0.322232  0.638696  0.347993  1
  Cu  Cu22  1  0.322232  0.138696  0.347993  1
  Cu  Cu23  1  0.479769  0.453876  0.364633  1
  Cu  Cu24  1  0.163823  0.821749  0.331439  1
  Cu  Cu25  1  0.295183  0.084890  0.398149  1
  Cu  Cu26  1  0.452960  0.400545  0.414909  1
  Cu  Cu27  1  0.137523  0.769481  0.381482  1
  Cu  Cu28  1  0.452960  0.900545  0.414909  1
  Cu  Cu29  1  0.137523  0.269481  0.381482  1
  Cu  Cu30  1  0.295183  0.584890  0.398149  1
  Cu  Cu31  1  0.952960  0.900545  0.414909  1
  Cu  Cu32  1  0.637523  0.269481  0.381482  1
  Cu  Cu33  1  0.795183  0.584890  0.398149  1
  Cu  Cu34  1  0.795183  0.084890  0.398149  1
  Cu  Cu35  1  0.952960  0.400545  0.414909  1
  Cu  Cu36  1  0.637523  0.769481  0.381482  1
  Cu  Cu37  1  0.768375  0.031565  0.448378  1
  Cu  Cu38  1  0.926091  0.347092  0.465112  1
  Cu  Cu39  1  0.610644  0.716004  0.431644  1
  Cu  Cu40  1  0.926091  0.847092  0.465112  1
  Cu  Cu41  1  0.610644  0.216004  0.431644  1
  Cu  Cu42  1  0.768375  0.531565  0.448378  1
  Cu  Cu43  1  0.426091  0.847092  0.465112  1
  Cu  Cu44  1  0.110644  0.216004  0.431644  1
  Cu  Cu45  1  0.268375  0.531565  0.448378  1
  Cu  Cu46  1  0.268375  0.031565  0.448378  1
  Cu  Cu47  1  0.426091  0.347092  0.465112  1
  Cu  Cu48  1  0.110644  0.716004  0.431644  1
  Cu  Cu49  1  0.241528  0.978157  0.498584  1
  Cu  Cu50  1  0.399247  0.293690  0.515319  1
  Cu  Cu51  1  0.083810  0.662624  0.481850  1
  Cu  Cu52  1  0.399247  0.793690  0.515319  1
  Cu  Cu53  1  0.083810  0.162624  0.481850  1
  Cu  Cu54  1  0.241528  0.478157  0.498584  1
  Cu  Cu55  1  0.899247  0.793690  0.515319  1
  Cu  Cu56  1  0.583810  0.162624  0.481850  1
  Cu  Cu57  1  0.741528  0.478157  0.498584  1
  Cu  Cu58  1  0.741528  0.978157  0.498584  1
  Cu  Cu59  1  0.899247  0.293690  0.515319  1
  Cu  Cu60  1  0.583810  0.662624  0.481850  1
  Cu  Cu61  1  0.714681  0.924749  0.548790  1
  Cu  Cu62  1  0.872412  0.240310  0.565524  1
  Cu  Cu63  1  0.556965  0.609222  0.532056  1
  Cu  Cu64  1  0.872412  0.740310  0.565524  1
  Cu  Cu65  1  0.556965  0.109222  0.532056  1
  Cu  Cu66  1  0.714681  0.424749  0.548790  1
  Cu  Cu67  1  0.372412  0.740310  0.565524  1
  Cu  Cu68  1  0.056965  0.109222  0.532056  1
  Cu  Cu69  1  0.214681  0.424749  0.548790  1
  Cu  Cu70  1  0.214681  0.924749  0.548790  1
  Cu  Cu71  1  0.372412  0.240310  0.565524  1
  Cu  Cu72  1  0.056965  0.609222  0.532056  1
  Cu  Cu73  1  0.187873  0.871424  0.599019  1
  Cu  Cu74  1  0.345534  0.186833  0.615687  1
  Cu  Cu75  1  0.030096  0.555769  0.582260  1
  Cu  Cu76  1  0.345534  0.686833  0.615687  1
  Cu  Cu77  1  0.030096  0.055769  0.582260  1
  Cu  Cu78  1  0.187873  0.371424  0.599019  1
  Cu  Cu79  1  0.845534  0.686833  0.615687  1
  Cu  Cu80  1  0.530096  0.055769  0.582260  1
  Cu  Cu81  1  0.687873  0.371424  0.599019  1
  Cu  Cu82  1  0.687873  0.871424  0.599019  1
  Cu  Cu83  1  0.845534  0.186833  0.615687  1
  Cu  Cu84  1  0.530096  0.555769  0.582260  1
  Cu  Cu85  1  0.660824  0.817618  0.649175  1
  Cu  Cu86  1  0.819233  0.134565  0.665730  1
  Cu  Cu87  1  0.503287  0.502438  0.632535  1
  Cu  Cu88  1  0.819233  0.634565  0.665730  1
  Cu  Cu89  1  0.503287  1.002438  0.632535  1
  Cu  Cu90  1  0.660824  0.317618  0.649175  1
  Cu  Cu91  1  0.319233  0.634565  0.665730  1
  Cu  Cu92  1  1.003287  1.002438  0.632535  1
  Cu  Cu93  1  0.160824  0.317618  0.649175  1
  Cu  Cu94  1  0.160824  0.817618  0.649175  1
  Cu  Cu95  1  0.319233  0.134565  0.665730  1
  Cu  Cu96  1  1.003287  0.502438  0.632535  1
  Cu  Cu97  1  0.134675  0.765814  0.699099  1
  Cu  Cu98  1  0.291545  0.079452  0.713296  1
  Cu  Cu99  1  0.975917  0.448055  0.682097  1
  Cu  Cu100  1  0.291545  0.579452  0.713296  1
  Cu  Cu101  1  0.975917  0.948055  0.682097  1
  Cu  Cu102  1  0.134675  0.265814  0.699099  1
  Cu  Cu103  1  0.791545  0.579452  0.713296  1
  Cu  Cu104  1  0.475917  0.948055  0.682097  1
  Cu  Cu105  1  0.634675  0.265814  0.699099  1
  Cu  Cu106  1  0.634675  0.765814  0.699099  1
  Cu  Cu107  1  0.791545  0.079452  0.713296  1
  Cu  Cu108  1  0.475917  0.448055  0.682097  1
