# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10932608
_cell_length_b   11.35637435
_cell_length_c   49.84690797
_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   2819.05369101
_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  0.689487  0.875900  0.283617  1
  Cu  Cu2  1  0.846160  0.189294  0.298832  1
  Cu  Cu3  1  0.004356  0.505920  0.315874  1
  Cu  Cu4  1  0.846160  0.689294  0.298832  1
  Cu  Cu5  1  0.004356  0.005920  0.315874  1
  Cu  Cu6  1  0.689487  0.375900  0.283617  1
  Cu  Cu7  1  0.346160  0.689294  0.298832  1
  Cu  Cu8  1  0.504356  0.005920  0.315874  1
  Cu  Cu9  1  0.189487  0.375900  0.283617  1
  Cu  Cu10  1  0.189487  0.875900  0.283617  1
  Cu  Cu11  1  0.346160  0.189294  0.298832  1
  Cu  Cu12  1  0.504356  0.505920  0.315874  1
  Cu  Cu13  1  0.161491  0.820445  0.331925  1
  Cu  Cu14  1  0.319682  0.136939  0.348807  1
  Cu  Cu15  1  0.477137  0.452100  0.365560  1
  Cu  Cu16  1  0.319682  0.636939  0.348807  1
  Cu  Cu17  1  0.477137  0.952100  0.365560  1
  Cu  Cu18  1  0.161491  0.320445  0.331925  1
  Cu  Cu19  1  0.819682  0.636939  0.348807  1
  Cu  Cu20  1  0.977137  0.952100  0.365560  1
  Cu  Cu21  1  0.661491  0.320445  0.331925  1
  Cu  Cu22  1  0.661491  0.820445  0.331925  1
  Cu  Cu23  1  0.819682  0.136939  0.348807  1
  Cu  Cu24  1  0.977137  0.452100  0.365560  1
  Cu  Cu25  1  0.634935  0.767863  0.382224  1
  Cu  Cu26  1  0.792619  0.083447  0.398925  1
  Cu  Cu27  1  0.950310  0.399026  0.415637  1
  Cu  Cu28  1  0.792619  0.583447  0.398925  1
  Cu  Cu29  1  0.950310  0.899026  0.415637  1
  Cu  Cu30  1  0.634935  0.267863  0.382224  1
  Cu  Cu31  1  0.292619  0.583447  0.398925  1
  Cu  Cu32  1  0.450310  0.899026  0.415637  1
  Cu  Cu33  1  0.134935  0.267863  0.382224  1
  Cu  Cu34  1  0.134935  0.767863  0.382224  1
  Cu  Cu35  1  0.292619  0.083447  0.398925  1
  Cu  Cu36  1  0.450310  0.399026  0.415637  1
  Cu  Cu37  1  0.108003  0.714617  0.432328  1
  Cu  Cu38  1  0.265705  0.030223  0.449031  1
  Cu  Cu39  1  0.423395  0.345807  0.465731  1
  Cu  Cu40  1  0.265705  0.530223  0.449031  1
  Cu  Cu41  1  0.423395  0.845807  0.465731  1
  Cu  Cu42  1  0.108003  0.214617  0.432328  1
  Cu  Cu43  1  0.765705  0.530223  0.449031  1
  Cu  Cu44  1  0.923395  0.845807  0.465731  1
  Cu  Cu45  1  0.608003  0.214617  0.432328  1
  Cu  Cu46  1  0.608003  0.714617  0.432328  1
  Cu  Cu47  1  0.765705  0.030223  0.449031  1
  Cu  Cu48  1  0.923395  0.345807  0.465731  1
  Cu  Cu49  1  0.581093  0.661405  0.482430  1
  Cu  Cu50  1  0.738788  0.976998  0.499131  1
  Cu  Cu51  1  0.896483  0.292591  0.515831  1
  Cu  Cu52  1  0.738788  0.476998  0.499131  1
  Cu  Cu53  1  0.896483  0.792591  0.515831  1
  Cu  Cu54  1  0.581093  0.161405  0.482430  1
  Cu  Cu55  1  0.238788  0.476998  0.499131  1
  Cu  Cu56  1  0.396483  0.792591  0.515831  1
  Cu  Cu57  1  0.081093  0.161405  0.482430  1
  Cu  Cu58  1  0.081093  0.661405  0.482430  1
  Cu  Cu59  1  0.238788  0.976998  0.499131  1
  Cu  Cu60  1  0.396483  0.292591  0.515831  1
  Cu  Cu61  1  0.054180  0.608188  0.532530  1
  Cu  Cu62  1  0.211871  0.923773  0.549231  1
  Cu  Cu63  1  0.369573  0.239379  0.565934  1
  Cu  Cu64  1  0.211871  0.423773  0.549231  1
  Cu  Cu65  1  0.369573  0.739379  0.565934  1
  Cu  Cu66  1  0.054180  0.108188  0.532530  1
  Cu  Cu67  1  0.711871  0.423773  0.549231  1
  Cu  Cu68  1  0.869573  0.739379  0.565934  1
  Cu  Cu69  1  0.554180  0.108188  0.532530  1
  Cu  Cu70  1  0.554180  0.608188  0.532530  1
  Cu  Cu71  1  0.711871  0.923773  0.549231  1
  Cu  Cu72  1  0.869573  0.239379  0.565934  1
  Cu  Cu73  1  0.527266  0.554969  0.582624  1
  Cu  Cu74  1  0.684957  0.870549  0.599337  1
  Cu  Cu75  1  0.842641  0.186133  0.616038  1
  Cu  Cu76  1  0.684957  0.370549  0.599337  1
  Cu  Cu77  1  0.842641  0.686133  0.616038  1
  Cu  Cu78  1  0.527266  0.054969  0.582624  1
  Cu  Cu79  1  0.184957  0.370549  0.599337  1
  Cu  Cu80  1  0.342641  0.686133  0.616038  1
  Cu  Cu81  1  0.027266  0.054969  0.582624  1
  Cu  Cu82  1  0.027266  0.554969  0.582624  1
  Cu  Cu83  1  0.184957  0.870549  0.599337  1
  Cu  Cu84  1  0.342641  0.186133  0.616038  1
  Cu  Cu85  1  1.000438  0.501895  0.632702  1
  Cu  Cu86  1  0.157894  0.817057  0.649455  1
  Cu  Cu87  1  0.316085  0.133550  0.666337  1
  Cu  Cu88  1  0.157894  0.317057  0.649455  1
  Cu  Cu89  1  0.316085  0.633550  0.666337  1
  Cu  Cu90  1  1.000438  1.001895  0.632702  1
  Cu  Cu91  1  0.657894  0.317057  0.649455  1
  Cu  Cu92  1  0.816085  0.633550  0.666337  1
  Cu  Cu93  1  0.500438  1.001895  0.632702  1
  Cu  Cu94  1  0.500438  0.501895  0.632702  1
  Cu  Cu95  1  0.657894  0.817057  0.649455  1
  Cu  Cu96  1  0.816085  0.133550  0.666337  1
  Cu  Cu97  1  0.473219  0.448076  0.682388  1
  Cu  Cu98  1  0.631416  0.764701  0.699430  1
  Cu  Cu99  1  0.788089  0.078096  0.714645  1
  Cu  Cu100  1  0.631416  0.264701  0.699430  1
  Cu  Cu101  1  0.788089  0.578096  0.714645  1
  Cu  Cu102  1  0.473219  0.948076  0.682388  1
  Cu  Cu103  1  0.131416  0.264701  0.699430  1
  Cu  Cu104  1  0.288089  0.578096  0.714645  1
  Cu  Cu105  1  0.973219  0.948076  0.682388  1
  Cu  Cu106  1  0.973219  0.448076  0.682388  1
  Cu  Cu107  1  0.131416  0.764701  0.699430  1
  Cu  Cu108  1  0.288089  0.078096  0.714645  1
