# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.42369896
_cell_length_b   6.69911691
_cell_length_c   45.18430325
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu96
_cell_volume   2549.81096669
_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  0.500401  0.282592  0.299639  1
  Cu  Cu2  1  0.500648  0.926436  0.318027  1
  Cu  Cu3  1  0.501792  0.644109  0.282855  1
  Cu  Cu4  1  0.250955  0.057172  0.293674  1
  Cu  Cu5  1  0.250955  0.701784  0.311217  1
  Cu  Cu6  1  0.250955  0.349280  0.328592  1
  Cu  Cu7  1  0.001509  0.282592  0.299639  1
  Cu  Cu8  1  0.001262  0.926436  0.318027  1
  Cu  Cu9  1  1.000118  0.644109  0.282855  1
  Cu  Cu10  1  0.750955  0.146048  0.324247  1
  Cu  Cu11  1  0.750955  0.857649  0.288353  1
  Cu  Cu12  1  0.750955  0.501177  0.305508  1
  Cu  Cu13  1  0.500394  0.211379  0.354640  1
  Cu  Cu14  1  0.500870  0.854327  0.373495  1
  Cu  Cu15  1  0.502210  0.568164  0.336601  1
  Cu  Cu16  1  0.250955  0.993733  0.348194  1
  Cu  Cu17  1  0.250955  0.636182  0.366759  1
  Cu  Cu18  1  0.250955  0.280537  0.385153  1
  Cu  Cu19  1  0.001515  0.211379  0.354640  1
  Cu  Cu20  1  0.001040  0.854327  0.373495  1
  Cu  Cu21  1  0.999700  0.568164  0.336601  1
  Cu  Cu22  1  0.750955  0.070709  0.379684  1
  Cu  Cu23  1  0.750955  0.785933  0.342435  1
  Cu  Cu24  1  0.750955  0.427758  0.361220  1
  Cu  Cu25  1  0.500883  0.140074  0.410436  1
  Cu  Cu26  1  0.500953  0.782917  0.429060  1
  Cu  Cu27  1  0.500973  0.496858  0.392043  1
  Cu  Cu28  1  0.250955  0.923521  0.403975  1
  Cu  Cu29  1  0.250955  0.566508  0.422538  1
  Cu  Cu30  1  0.250955  0.209680  0.441049  1
  Cu  Cu31  1  0.001027  0.140074  0.410436  1
  Cu  Cu32  1  0.000956  0.782917  0.429060  1
  Cu  Cu33  1  1.000937  0.496858  0.392043  1
  Cu  Cu34  1  0.750955  0.999011  0.435383  1
  Cu  Cu35  1  0.750955  0.713376  0.398247  1
  Cu  Cu36  1  0.750955  0.356091  0.416896  1
  Cu  Cu37  1  0.500947  0.068753  0.466117  1
  Cu  Cu38  1  0.500962  0.711647  0.484692  1
  Cu  Cu39  1  0.500949  0.425746  0.447621  1
  Cu  Cu40  1  0.250955  0.852594  0.459684  1
  Cu  Cu41  1  0.250955  0.495482  0.478250  1
  Cu  Cu42  1  0.250955  0.138467  0.496775  1
  Cu  Cu43  1  0.000963  0.068753  0.466117  1
  Cu  Cu44  1  1.000948  0.711647  0.484692  1
  Cu  Cu45  1  0.000961  0.425746  0.447621  1
  Cu  Cu46  1  0.750955  0.927764  0.491085  1
  Cu  Cu47  1  0.750955  0.641923  0.453958  1
  Cu  Cu48  1  0.750955  0.284768  0.472553  1
  Cu  Cu49  1  0.500975  0.997510  0.521787  1
  Cu  Cu50  1  0.500988  0.640403  0.540346  1
  Cu  Cu51  1  0.500969  0.354521  0.503267  1
  Cu  Cu52  1  0.250955  0.781310  0.515351  1
  Cu  Cu53  1  0.250955  0.424144  0.533928  1
  Cu  Cu54  1  0.250955  0.067087  0.552417  1
  Cu  Cu55  1  1.000935  0.997510  0.521787  1
  Cu  Cu56  1  1.000922  0.640403  0.540346  1
  Cu  Cu57  1  1.000941  0.354521  0.503267  1
  Cu  Cu58  1  0.750955  0.856743  0.546794  1
  Cu  Cu59  1  0.750955  0.570716  0.509644  1
  Cu  Cu60  1  0.750955  0.213637  0.528252  1
  Cu  Cu61  1  0.501003  0.926397  0.577459  1
  Cu  Cu62  1  0.501049  0.569199  0.596010  1
  Cu  Cu63  1  0.501002  0.283275  0.558964  1
  Cu  Cu64  1  0.250955  0.709776  0.570971  1
  Cu  Cu65  1  0.250955  0.352373  0.589594  1
  Cu  Cu66  1  0.250955  0.995557  0.607964  1
  Cu  Cu67  1  1.000907  0.926397  0.577459  1
  Cu  Cu68  1  1.000861  0.569199  0.596010  1
  Cu  Cu69  1  1.000907  0.283275  0.558964  1
  Cu  Cu70  1  0.750955  0.786188  0.602519  1
  Cu  Cu71  1  0.750955  0.499755  0.565325  1
  Cu  Cu72  1  0.750955  0.142771  0.584019  1
  Cu  Cu73  1  0.501488  0.855525  0.633145  1
  Cu  Cu74  1  0.501293  0.498431  0.651820  1
  Cu  Cu75  1  0.500997  0.212202  0.614774  1
  Cu  Cu76  1  0.250955  0.637061  0.626496  1
  Cu  Cu77  1  0.250955  0.280397  0.645435  1
  Cu  Cu78  1  0.250955  0.921005  0.662989  1
  Cu  Cu79  1  1.000422  0.855525  0.633145  1
  Cu  Cu80  1  1.000617  0.498431  0.651820  1
  Cu  Cu81  1  1.000913  0.212202  0.614774  1
  Cu  Cu82  1  0.750955  0.716922  0.658375  1
  Cu  Cu83  1  0.750955  0.429455  0.620968  1
  Cu  Cu84  1  0.750955  0.072920  0.639925  1
  Cu  Cu85  1  0.501499  0.786291  0.688864  1
  Cu  Cu86  1  0.500487  0.429707  0.706090  1
  Cu  Cu87  1  0.499506  0.139928  0.670712  1
  Cu  Cu88  1  0.250955  0.562717  0.682160  1
  Cu  Cu89  1  0.250955  0.205748  0.700353  1
  Cu  Cu90  1  0.250955  0.849580  0.716750  1
  Cu  Cu91  1  1.000411  0.786291  0.688864  1
  Cu  Cu92  1  0.001423  0.429707  0.706090  1
  Cu  Cu93  1  0.002404  0.139928  0.670712  1
  Cu  Cu94  1  0.750955  0.640100  0.711975  1
  Cu  Cu95  1  0.750955  0.359898  0.676444  1
  Cu  Cu96  1  0.750955  0.004690  0.694875  1
