# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.42339784
_cell_length_b   4.39088113
_cell_length_c   45.96087498
_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   Cu64
_cell_volume   1699.91529161
_cell_formula_units_Z   64
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  0.496108  0.866495  0.285398  1
  Cu  Cu2  1  0.250973  0.212884  0.285076  1
  Cu  Cu3  1  0.005837  0.866495  0.285398  1
  Cu  Cu4  1  0.750973  0.022432  0.310599  1
  Cu  Cu5  1  0.501707  0.368919  0.311440  1
  Cu  Cu6  1  0.250973  0.712843  0.311946  1
  Cu  Cu7  1  1.000239  0.368919  0.311440  1
  Cu  Cu8  1  0.750973  0.531531  0.337785  1
  Cu  Cu9  1  0.500564  0.874405  0.339436  1
  Cu  Cu10  1  0.250973  0.210521  0.339329  1
  Cu  Cu11  1  0.001381  0.874405  0.339436  1
  Cu  Cu12  1  0.750973  0.036252  0.366229  1
  Cu  Cu13  1  0.501475  0.375068  0.366962  1
  Cu  Cu14  1  0.250973  0.710291  0.367386  1
  Cu  Cu15  1  1.000470  0.375068  0.366962  1
  Cu  Cu16  1  0.750973  0.538645  0.394197  1
  Cu  Cu17  1  0.501150  0.876008  0.394893  1
  Cu  Cu18  1  0.250973  0.211345  0.394988  1
  Cu  Cu19  1  1.000796  0.876008  0.394893  1
  Cu  Cu20  1  0.750973  0.040097  0.422271  1
  Cu  Cu21  1  0.501083  0.376716  0.422625  1
  Cu  Cu22  1  0.250973  0.712201  0.422856  1
  Cu  Cu23  1  1.000863  0.376716  0.422625  1
  Cu  Cu24  1  0.750973  0.540937  0.450169  1
  Cu  Cu25  1  0.501049  0.877274  0.450487  1
  Cu  Cu26  1  0.250973  0.212919  0.450613  1
  Cu  Cu27  1  1.000897  0.877274  0.450487  1
  Cu  Cu28  1  0.750973  0.041526  0.478090  1
  Cu  Cu29  1  0.501011  0.377711  0.478294  1
  Cu  Cu30  1  0.250973  0.713574  0.478457  1
  Cu  Cu31  1  1.000934  0.377711  0.478294  1
  Cu  Cu32  1  0.750973  0.541953  0.505938  1
  Cu  Cu33  1  0.500978  0.878099  0.506151  1
  Cu  Cu34  1  0.250973  0.214212  0.506275  1
  Cu  Cu35  1  1.000968  0.878099  0.506151  1
  Cu  Cu36  1  0.750973  0.042295  0.533793  1
  Cu  Cu37  1  0.500946  0.378474  0.533978  1
  Cu  Cu38  1  0.250973  0.714933  0.534145  1
  Cu  Cu39  1  0.001000  0.378474  0.533978  1
  Cu  Cu40  1  0.750973  0.542583  0.561579  1
  Cu  Cu41  1  0.500910  0.878893  0.561861  1
  Cu  Cu42  1  0.250973  0.215843  0.561989  1
  Cu  Cu43  1  0.001036  0.878893  0.561861  1
  Cu  Cu44  1  0.750973  0.042806  0.589400  1
  Cu  Cu45  1  0.500867  0.379380  0.589681  1
  Cu  Cu46  1  0.250973  0.717184  0.589924  1
  Cu  Cu47  1  0.001079  0.379380  0.589681  1
  Cu  Cu48  1  0.750973  0.543122  0.617048  1
  Cu  Cu49  1  0.500837  0.880003  0.617667  1
  Cu  Cu50  1  0.250973  0.219142  0.617751  1
  Cu  Cu51  1  0.001108  0.880003  0.617667  1
  Cu  Cu52  1  0.750973  0.043371  0.644921  1
  Cu  Cu53  1  0.500172  0.380512  0.645490  1
  Cu  Cu54  1  0.250973  0.722647  0.645867  1
  Cu  Cu55  1  0.001774  0.380512  0.645490  1
  Cu  Cu56  1  0.750973  0.541200  0.672046  1
  Cu  Cu57  1  0.502073  0.880736  0.673748  1
  Cu  Cu58  1  0.250973  0.227073  0.673534  1
  Cu  Cu59  1  0.999873  0.880736  0.673748  1
  Cu  Cu60  1  0.750973  0.048793  0.700153  1
  Cu  Cu61  1  0.501019  0.385644  0.700492  1
  Cu  Cu62  1  0.250973  0.726595  0.700214  1
  Cu  Cu63  1  1.000927  0.385644  0.700492  1
  Cu  Cu64  1  0.750973  0.557341  0.725309  1
