# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29379127
_cell_length_b   6.70184080
_cell_length_c   45.38577112
_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   2522.70766727
_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  1.002120  0.284091  0.298518  1
  Cu  Cu2  1  1.002420  0.929007  0.317311  1
  Cu  Cu3  1  0.002866  0.645676  0.282187  1
  Cu  Cu4  1  0.752621  0.062897  0.292756  1
  Cu  Cu5  1  0.752621  0.707294  0.310699  1
  Cu  Cu6  1  0.752621  0.353170  0.328085  1
  Cu  Cu7  1  0.503123  0.284091  0.298518  1
  Cu  Cu8  1  0.502823  0.929007  0.317311  1
  Cu  Cu9  1  0.502376  0.645676  0.282187  1
  Cu  Cu10  1  0.252621  0.146817  0.323178  1
  Cu  Cu11  1  0.252621  0.860745  0.287441  1
  Cu  Cu12  1  0.252621  0.500932  0.304731  1
  Cu  Cu13  1  1.001966  0.213795  0.353739  1
  Cu  Cu14  1  1.002598  0.856216  0.372413  1
  Cu  Cu15  1  0.003546  0.569559  0.335807  1
  Cu  Cu16  1  0.752621  0.996053  0.347463  1
  Cu  Cu17  1  0.752621  0.638586  0.365868  1
  Cu  Cu18  1  0.752621  0.282288  0.384236  1
  Cu  Cu19  1  0.503277  0.213795  0.353739  1
  Cu  Cu20  1  0.502644  0.856216  0.372413  1
  Cu  Cu21  1  0.501696  0.569559  0.335807  1
  Cu  Cu22  1  0.252621  0.072972  0.378584  1
  Cu  Cu23  1  0.252621  0.786577  0.341621  1
  Cu  Cu24  1  0.252621  0.429729  0.360251  1
  Cu  Cu25  1  1.002586  0.141712  0.409448  1
  Cu  Cu26  1  0.002623  0.784542  0.428105  1
  Cu  Cu27  1  0.002641  0.498763  0.391084  1
  Cu  Cu28  1  0.752621  0.924697  0.403068  1
  Cu  Cu29  1  0.752621  0.567438  0.421641  1
  Cu  Cu30  1  0.752621  0.210369  0.440127  1
  Cu  Cu31  1  0.502657  0.141712  0.409448  1
  Cu  Cu32  1  0.502619  0.784542  0.428105  1
  Cu  Cu33  1  0.502602  0.498763  0.391084  1
  Cu  Cu34  1  0.252621  1.001458  0.434441  1
  Cu  Cu35  1  0.252621  0.715783  0.397323  1
  Cu  Cu36  1  0.252621  0.358345  0.415945  1
  Cu  Cu37  1  0.002622  0.070104  0.465201  1
  Cu  Cu38  1  0.002634  0.712851  0.483805  1
  Cu  Cu39  1  0.002636  0.427176  0.446699  1
  Cu  Cu40  1  0.752621  0.853090  0.458790  1
  Cu  Cu41  1  0.752621  0.495802  0.477368  1
  Cu  Cu42  1  0.752621  0.138685  0.495893  1
  Cu  Cu43  1  0.502621  0.070104  0.465201  1
  Cu  Cu44  1  0.502609  0.712851  0.483805  1
  Cu  Cu45  1  0.502607  0.427176  0.446699  1
  Cu  Cu46  1  0.252621  0.929883  0.490205  1
  Cu  Cu47  1  0.252621  0.644213  0.453061  1
  Cu  Cu48  1  0.252621  0.286971  0.471674  1
  Cu  Cu49  1  0.002646  0.998474  0.520933  1
  Cu  Cu50  1  0.002653  0.641238  0.539522  1
  Cu  Cu51  1  0.002636  0.355594  0.502408  1
  Cu  Cu52  1  0.752621  0.781392  0.514499  1
  Cu  Cu53  1  0.752621  0.424158  0.533098  1
  Cu  Cu54  1  0.752621  0.067052  0.551585  1
  Cu  Cu55  1  0.502597  0.998474  0.520933  1
  Cu  Cu56  1  0.502590  0.641238  0.539522  1
  Cu  Cu57  1  0.502607  0.355594  0.502408  1
  Cu  Cu58  1  0.252621  0.858391  0.545946  1
  Cu  Cu59  1  0.252621  0.572673  0.508795  1
  Cu  Cu60  1  0.252621  0.215441  0.527421  1
  Cu  Cu61  1  0.002685  0.927013  0.576664  1
  Cu  Cu62  1  0.002705  0.569577  0.595230  1
  Cu  Cu63  1  0.002645  0.283928  0.558168  1
  Cu  Cu64  1  0.752621  0.709743  0.570197  1
  Cu  Cu65  1  0.752621  0.352438  0.588827  1
  Cu  Cu66  1  0.752621  0.995717  0.607183  1
  Cu  Cu67  1  0.502558  0.927013  0.576664  1
  Cu  Cu68  1  0.502538  0.569577  0.595230  1
  Cu  Cu69  1  0.502598  0.283928  0.558168  1
  Cu  Cu70  1  0.252621  0.786888  0.601635  1
  Cu  Cu71  1  0.252621  0.501082  0.564516  1
  Cu  Cu72  1  0.252621  0.143992  0.583222  1
  Cu  Cu73  1  0.003016  0.855406  0.632357  1
  Cu  Cu74  1  0.003031  0.499030  0.650907  1
  Cu  Cu75  1  0.002655  0.212411  0.614058  1
  Cu  Cu76  1  0.752621  0.637731  0.625850  1
  Cu  Cu77  1  0.752621  0.281274  0.644584  1
  Cu  Cu78  1  0.752621  0.923528  0.662151  1
  Cu  Cu79  1  0.502226  0.855406  0.632357  1
  Cu  Cu80  1  0.502212  0.499030  0.650907  1
  Cu  Cu81  1  0.502588  0.212411  0.614058  1
  Cu  Cu82  1  0.252621  0.716487  0.657165  1
  Cu  Cu83  1  0.252621  0.429602  0.620255  1
  Cu  Cu84  1  0.252621  0.072271  0.639041  1
  Cu  Cu85  1  0.003754  0.786107  0.687772  1
  Cu  Cu86  1  1.001482  0.427528  0.705265  1
  Cu  Cu87  1  1.001685  0.140000  0.669724  1
  Cu  Cu88  1  0.752621  0.565387  0.681134  1
  Cu  Cu89  1  0.752621  0.208213  0.699543  1
  Cu  Cu90  1  0.752621  0.851873  0.715702  1
  Cu  Cu91  1  0.501489  0.786107  0.687772  1
  Cu  Cu92  1  0.503761  0.427528  0.705265  1
  Cu  Cu93  1  0.503557  0.140000  0.669724  1
  Cu  Cu94  1  0.252621  0.639664  0.710877  1
  Cu  Cu95  1  0.252621  0.357765  0.675483  1
  Cu  Cu96  1  0.252621  1.004294  0.694451  1
