# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37859235
_cell_length_b   6.75061067
_cell_length_c   45.52785137
_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   2575.0832696
_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  0.501825  0.281636  0.300425  1
  Cu  Cu2  1  0.501793  0.926360  0.318210  1
  Cu  Cu3  1  0.502273  0.639610  0.284009  1
  Cu  Cu4  1  0.252096  0.064518  0.294645  1
  Cu  Cu5  1  0.252096  0.708795  0.312023  1
  Cu  Cu6  1  0.252096  0.355831  0.329099  1
  Cu  Cu7  1  0.002367  0.281636  0.300425  1
  Cu  Cu8  1  0.002399  0.926360  0.318210  1
  Cu  Cu9  1  1.001919  0.639610  0.284009  1
  Cu  Cu10  1  0.752096  0.141105  0.324205  1
  Cu  Cu11  1  0.752096  0.850207  0.289058  1
  Cu  Cu12  1  0.752096  0.494458  0.306214  1
  Cu  Cu13  1  0.501291  0.211472  0.354798  1
  Cu  Cu14  1  0.501933  0.854731  0.373525  1
  Cu  Cu15  1  0.503009  0.568339  0.336943  1
  Cu  Cu16  1  0.252096  0.996771  0.348576  1
  Cu  Cu17  1  0.252096  0.638293  0.367132  1
  Cu  Cu18  1  0.252096  0.281798  0.385413  1
  Cu  Cu19  1  0.002901  0.211472  0.354798  1
  Cu  Cu20  1  0.002259  0.854731  0.373525  1
  Cu  Cu21  1  1.001183  0.568339  0.336943  1
  Cu  Cu22  1  0.752096  0.069986  0.379800  1
  Cu  Cu23  1  0.752096  0.782492  0.342564  1
  Cu  Cu24  1  0.752096  0.425353  0.361329  1
  Cu  Cu25  1  0.502094  0.140459  0.410602  1
  Cu  Cu26  1  0.502138  0.783355  0.429272  1
  Cu  Cu27  1  0.502263  0.497172  0.392217  1
  Cu  Cu28  1  0.252096  0.924259  0.404254  1
  Cu  Cu29  1  0.252096  0.566713  0.422846  1
  Cu  Cu30  1  0.252096  0.209708  0.441356  1
  Cu  Cu31  1  0.002098  0.140459  0.410602  1
  Cu  Cu32  1  1.002054  0.783355  0.429272  1
  Cu  Cu33  1  1.001929  0.497172  0.392217  1
  Cu  Cu34  1  0.752096  0.999723  0.435688  1
  Cu  Cu35  1  0.752096  0.713339  0.398409  1
  Cu  Cu36  1  0.752096  0.356455  0.417188  1
  Cu  Cu37  1  0.502114  0.069153  0.466438  1
  Cu  Cu38  1  0.502114  0.712045  0.485067  1
  Cu  Cu39  1  0.502125  0.426125  0.447916  1
  Cu  Cu40  1  0.252096  0.852456  0.460019  1
  Cu  Cu41  1  0.252096  0.495252  0.478621  1
  Cu  Cu42  1  0.252096  0.138218  0.497169  1
  Cu  Cu43  1  1.002079  0.069153  0.466438  1
  Cu  Cu44  1  1.002078  0.712045  0.485067  1
  Cu  Cu45  1  1.002067  0.426125  0.447916  1
  Cu  Cu46  1  0.752096  0.928793  0.491526  1
  Cu  Cu47  1  0.752096  0.642845  0.454298  1
  Cu  Cu48  1  0.752096  0.285731  0.472972  1
  Cu  Cu49  1  0.502097  0.997900  0.522261  1
  Cu  Cu50  1  0.502115  0.640748  0.540876  1
  Cu  Cu51  1  0.502111  0.354882  0.503709  1
  Cu  Cu52  1  0.252096  0.781054  0.515796  1
  Cu  Cu53  1  0.252096  0.423926  0.534416  1
  Cu  Cu54  1  0.252096  0.067033  0.552942  1
  Cu  Cu55  1  1.002095  0.997900  0.522261  1
  Cu  Cu56  1  1.002077  0.640748  0.540876  1
  Cu  Cu57  1  1.002081  0.354882  0.503709  1
  Cu  Cu58  1  0.752096  0.857682  0.547333  1
  Cu  Cu59  1  0.752096  0.571760  0.510117  1
  Cu  Cu60  1  0.752096  0.214608  0.528783  1
  Cu  Cu61  1  0.502071  0.926723  0.578072  1
  Cu  Cu62  1  0.502107  0.569425  0.596701  1
  Cu  Cu63  1  0.502106  0.283587  0.559567  1
  Cu  Cu64  1  0.252096  0.709858  0.571557  1
  Cu  Cu65  1  0.252096  0.352970  0.590237  1
  Cu  Cu66  1  0.252096  0.996713  0.608633  1
  Cu  Cu67  1  0.002121  0.926723  0.578072  1
  Cu  Cu68  1  1.002086  0.569425  0.596701  1
  Cu  Cu69  1  1.002087  0.283587  0.559567  1
  Cu  Cu70  1  0.752096  0.786303  0.603082  1
  Cu  Cu71  1  0.752096  0.500510  0.565879  1
  Cu  Cu72  1  0.752096  0.143234  0.584630  1
  Cu  Cu73  1  0.502765  0.855793  0.633857  1
  Cu  Cu74  1  0.502685  0.498485  0.652478  1
  Cu  Cu75  1  0.502009  0.212233  0.615543  1
  Cu  Cu76  1  0.252096  0.639530  0.627314  1
  Cu  Cu77  1  0.252096  0.284355  0.646134  1
  Cu  Cu78  1  0.252096  0.926968  0.663618  1
  Cu  Cu79  1  1.001427  0.855793  0.633857  1
  Cu  Cu80  1  1.001507  0.498485  0.652478  1
  Cu  Cu81  1  0.002183  0.212233  0.615543  1
  Cu  Cu82  1  0.752096  0.713349  0.658605  1
  Cu  Cu83  1  0.752096  0.428787  0.621555  1
  Cu  Cu84  1  0.752096  0.071621  0.640453  1
  Cu  Cu85  1  0.502716  0.786256  0.688964  1
  Cu  Cu86  1  0.500971  0.430900  0.706161  1
  Cu  Cu87  1  0.500664  0.139357  0.671494  1
  Cu  Cu88  1  0.252096  0.570575  0.682744  1
  Cu  Cu89  1  0.252096  0.215883  0.700394  1
  Cu  Cu90  1  0.252096  0.861733  0.716453  1
  Cu  Cu91  1  1.001476  0.786256  0.688964  1
  Cu  Cu92  1  0.003222  0.430900  0.706161  1
  Cu  Cu93  1  0.003528  0.139357  0.671494  1
  Cu  Cu94  1  0.752096  0.638614  0.711555  1
  Cu  Cu95  1  0.752096  0.354875  0.677003  1
  Cu  Cu96  1  0.752096  0.999231  0.694930  1
