# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14153103
_cell_length_b   4.85384623
_cell_length_c   45.70699094
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.72524604
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu72
_cell_volume   1889.87965172
_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  0.908059  0.019285  0.278726  1
  Cu  Cu2  1  0.185222  0.962821  0.289505  1
  Cu  Cu3  1  0.463690  0.908792  0.301214  1
  Cu  Cu4  1  0.972207  0.475027  0.287411  1
  Cu  Cu5  1  0.250805  0.422097  0.298645  1
  Cu  Cu6  1  0.532874  0.365990  0.310053  1
  Cu  Cu7  1  0.741801  0.852371  0.313021  1
  Cu  Cu8  1  0.023743  0.799864  0.326219  1
  Cu  Cu9  1  0.304016  0.744437  0.337923  1
  Cu  Cu10  1  0.809778  0.312289  0.323499  1
  Cu  Cu11  1  0.090745  0.255177  0.335610  1
  Cu  Cu12  1  0.370374  0.202407  0.347407  1
  Cu  Cu13  1  0.581479  0.691059  0.350199  1
  Cu  Cu14  1  0.861448  0.637791  0.362406  1
  Cu  Cu15  1  0.142223  0.581324  0.374964  1
  Cu  Cu16  1  0.648794  0.146883  0.359802  1
  Cu  Cu17  1  0.928727  0.093334  0.372656  1
  Cu  Cu18  1  0.209305  0.037524  0.384865  1
  Cu  Cu19  1  0.421534  0.526553  0.387250  1
  Cu  Cu20  1  0.700748  0.473000  0.399521  1
  Cu  Cu21  1  0.980570  0.419131  0.411953  1
  Cu  Cu22  1  0.488437  0.983513  0.397173  1
  Cu  Cu23  1  0.767896  0.929088  0.409577  1
  Cu  Cu24  1  0.047975  0.874639  0.422050  1
  Cu  Cu25  1  0.260383  0.363972  0.424406  1
  Cu  Cu26  1  0.540066  0.309534  0.436740  1
  Cu  Cu27  1  0.819686  0.255386  0.449071  1
  Cu  Cu28  1  0.327745  0.819811  0.434407  1
  Cu  Cu29  1  0.607365  0.765420  0.446756  1
  Cu  Cu30  1  0.887029  0.711209  0.459155  1
  Cu  Cu31  1  0.099363  0.200997  0.461494  1
  Cu  Cu32  1  0.379171  0.146316  0.473879  1
  Cu  Cu33  1  0.658909  0.091869  0.486245  1
  Cu  Cu34  1  0.166786  0.656693  0.471566  1
  Cu  Cu35  1  0.446563  0.602076  0.483934  1
  Cu  Cu36  1  0.726282  0.547646  0.496310  1
  Cu  Cu37  1  0.938538  0.037612  0.498636  1
  Cu  Cu38  1  0.218256  0.983182  0.511012  1
  Cu  Cu39  1  0.498033  0.928565  0.523380  1
  Cu  Cu40  1  0.005911  0.493389  0.508701  1
  Cu  Cu41  1  0.285649  0.438942  0.521067  1
  Cu  Cu42  1  0.565456  0.384261  0.533452  1
  Cu  Cu43  1  0.777791  0.874049  0.535792  1
  Cu  Cu44  1  0.057455  0.819838  0.548190  1
  Cu  Cu45  1  0.337075  0.765447  0.560539  1
  Cu  Cu46  1  0.845133  0.329872  0.545875  1
  Cu  Cu47  1  0.124754  0.275724  0.558207  1
  Cu  Cu48  1  0.404437  0.221286  0.570540  1
  Cu  Cu49  1  0.616845  0.710619  0.572897  1
  Cu  Cu50  1  0.896924  0.656170  0.585369  1
  Cu  Cu51  1  0.176382  0.601744  0.597773  1
  Cu  Cu52  1  0.684250  0.166127  0.582993  1
  Cu  Cu53  1  0.964072  0.112258  0.595425  1
  Cu  Cu54  1  0.243285  0.058705  0.607696  1
  Cu  Cu55  1  0.455514  0.547734  0.610081  1
  Cu  Cu56  1  0.736092  0.491924  0.622290  1
  Cu  Cu57  1  0.016025  0.438375  0.635144  1
  Cu  Cu58  1  0.522596  0.003934  0.619982  1
  Cu  Cu59  1  0.803372  0.947467  0.632540  1
  Cu  Cu60  1  0.083341  0.894199  0.644748  1
  Cu  Cu61  1  0.294446  0.382851  0.647539  1
  Cu  Cu62  1  0.574074  0.330081  0.659336  1
  Cu  Cu63  1  0.855042  0.272969  0.671447  1
  Cu  Cu64  1  0.360804  0.840821  0.657023  1
  Cu  Cu65  1  0.641077  0.785394  0.668727  1
  Cu  Cu66  1  0.923018  0.732887  0.681926  1
  Cu  Cu67  1  0.131945  0.219268  0.684893  1
  Cu  Cu68  1  0.414015  0.163161  0.696301  1
  Cu  Cu69  1  0.692612  0.110231  0.707535  1
  Cu  Cu70  1  0.201130  0.676466  0.693732  1
  Cu  Cu71  1  0.479597  0.622436  0.705441  1
  Cu  Cu72  1  0.756761  0.565973  0.716220  1
