# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39635122
_cell_length_b   8.64250459
_cell_length_c   49.12204062
_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   Cu72
_cell_volume   1866.41578832
_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  0.008057  0.982362  0.296292  1
  Cu  Cu2  1  0.506517  0.944085  0.321772  1
  Cu  Cu3  1  0.342113  0.212161  0.308723  1
  Cu  Cu4  1  0.839118  0.257577  0.285312  1
  Cu  Cu5  1  0.006804  0.533641  0.274893  1
  Cu  Cu6  1  0.501742  0.483935  0.297353  1
  Cu  Cu7  1  0.164079  0.715163  0.310409  1
  Cu  Cu8  1  0.653571  0.758259  0.285029  1
  Cu  Cu9  1  0.003607  0.899729  0.347053  1
  Cu  Cu10  1  0.503575  0.856266  0.371895  1
  Cu  Cu11  1  0.340687  0.127663  0.359408  1
  Cu  Cu12  1  0.842573  0.169888  0.334687  1
  Cu  Cu13  1  0.003835  0.441145  0.323137  1
  Cu  Cu14  1  0.503662  0.397689  0.347171  1
  Cu  Cu15  1  0.167754  0.627578  0.359833  1
  Cu  Cu16  1  0.666664  0.669915  0.334722  1
  Cu  Cu17  1  1.003330  0.812990  0.397130  1
  Cu  Cu18  1  0.503443  0.769941  0.422143  1
  Cu  Cu19  1  0.339847  0.041196  0.409617  1
  Cu  Cu20  1  0.839991  0.084165  0.384628  1
  Cu  Cu21  1  0.003803  0.355237  0.372434  1
  Cu  Cu22  1  0.503636  0.312395  0.397253  1
  Cu  Cu23  1  0.167515  0.541255  0.409798  1
  Cu  Cu24  1  0.667415  0.584153  0.384698  1
  Cu  Cu25  1  1.003388  0.726870  0.447247  1
  Cu  Cu26  1  0.503415  0.683845  0.472279  1
  Cu  Cu27  1  0.339627  0.955222  0.459768  1
  Cu  Cu28  1  0.839678  0.998212  0.434735  1
  Cu  Cu29  1  0.003608  0.269462  0.422331  1
  Cu  Cu30  1  0.503474  0.226558  0.447311  1
  Cu  Cu31  1  0.167412  0.455220  0.459828  1
  Cu  Cu32  1  0.667429  0.498215  0.434775  1
  Cu  Cu33  1  1.003406  0.640834  0.497341  1
  Cu  Cu34  1  0.503451  0.597854  0.522363  1
  Cu  Cu35  1  0.339586  0.869226  0.509884  1
  Cu  Cu36  1  0.839586  0.912223  0.484843  1
  Cu  Cu37  1  1.003451  0.183595  0.472365  1
  Cu  Cu38  1  0.503406  0.140615  0.497387  1
  Cu  Cu39  1  0.167381  0.369227  0.509887  1
  Cu  Cu40  1  0.667381  0.412222  0.484841  1
  Cu  Cu41  1  1.003474  0.554891  0.547417  1
  Cu  Cu42  1  0.503608  0.511987  0.572396  1
  Cu  Cu43  1  0.339678  0.783237  0.559993  1
  Cu  Cu44  1  0.839627  0.826227  0.534960  1
  Cu  Cu45  1  1.003415  0.097604  0.522449  1
  Cu  Cu46  1  0.503388  0.054579  0.547481  1
  Cu  Cu47  1  0.167429  0.283234  0.559953  1
  Cu  Cu48  1  0.667412  0.326229  0.534899  1
  Cu  Cu49  1  0.003636  0.469054  0.597475  1
  Cu  Cu50  1  0.503803  0.426212  0.622293  1
  Cu  Cu51  1  0.339991  0.697284  0.610100  1
  Cu  Cu52  1  0.839847  0.740253  0.585111  1
  Cu  Cu53  1  1.003443  0.011508  0.572584  1
  Cu  Cu54  1  0.503330  0.968459  0.597598  1
  Cu  Cu55  1  0.167415  0.197296  0.610030  1
  Cu  Cu56  1  0.667515  0.240194  0.584930  1
  Cu  Cu57  1  0.003662  0.383760  0.647557  1
  Cu  Cu58  1  0.503835  0.340304  0.671591  1
  Cu  Cu59  1  0.342573  0.611561  0.660041  1
  Cu  Cu60  1  0.840687  0.653786  0.635319  1
  Cu  Cu61  1  0.003575  0.925183  0.622833  1
  Cu  Cu62  1  0.503607  0.881720  0.647674  1
  Cu  Cu63  1  0.166664  0.111534  0.660006  1
  Cu  Cu64  1  0.667754  0.153871  0.634895  1
  Cu  Cu65  1  1.001742  0.297514  0.697375  1
  Cu  Cu66  1  0.506804  0.247808  0.719835  1
  Cu  Cu67  1  0.339118  0.523872  0.709415  1
  Cu  Cu68  1  0.842113  0.569288  0.686004  1
  Cu  Cu69  1  0.006517  0.837364  0.672956  1
  Cu  Cu70  1  0.508057  0.799087  0.698436  1
  Cu  Cu71  1  0.153571  0.023190  0.709699  1
  Cu  Cu72  1  0.664079  0.066286  0.684319  1
