# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.99050712
_cell_length_b   4.22962296
_cell_length_c   47.25648671
_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   Cu68
_cell_volume   1597.11955843
_cell_formula_units_Z   68
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  1.003561  0.505685  0.287315  1
  Cu  Cu2  1  0.753561  0.843602  0.287317  1
  Cu  Cu3  1  0.503561  0.505685  0.287315  1
  Cu  Cu4  1  0.253561  0.167768  0.287317  1
  Cu  Cu5  1  1.003561  1.005685  0.311938  1
  Cu  Cu6  1  0.753561  0.344674  0.311894  1
  Cu  Cu7  1  0.503561  1.005685  0.311938  1
  Cu  Cu8  1  0.253561  0.666696  0.311894  1
  Cu  Cu9  1  1.003561  0.505685  0.338202  1
  Cu  Cu10  1  0.753561  0.843902  0.338204  1
  Cu  Cu11  1  0.503561  0.505685  0.338202  1
  Cu  Cu12  1  0.253561  0.167468  0.338204  1
  Cu  Cu13  1  1.003561  1.005685  0.364354  1
  Cu  Cu14  1  0.753561  0.344560  0.364356  1
  Cu  Cu15  1  0.503561  1.005685  0.364354  1
  Cu  Cu16  1  0.253561  0.666810  0.364356  1
  Cu  Cu17  1  1.003561  0.505685  0.390829  1
  Cu  Cu18  1  0.753561  0.845203  0.390840  1
  Cu  Cu19  1  0.503561  0.505685  0.390829  1
  Cu  Cu20  1  0.253561  0.166166  0.390840  1
  Cu  Cu21  1  1.003561  1.005685  0.417228  1
  Cu  Cu22  1  0.753561  0.345497  0.417234  1
  Cu  Cu23  1  0.503561  1.005685  0.417228  1
  Cu  Cu24  1  0.253561  0.665873  0.417234  1
  Cu  Cu25  1  1.003561  0.505685  0.443656  1
  Cu  Cu26  1  0.753561  0.845648  0.443661  1
  Cu  Cu27  1  0.503561  0.505685  0.443656  1
  Cu  Cu28  1  0.253561  0.165721  0.443661  1
  Cu  Cu29  1  1.003561  1.005685  0.470073  1
  Cu  Cu30  1  0.753561  0.345713  0.470075  1
  Cu  Cu31  1  0.503561  1.005685  0.470073  1
  Cu  Cu32  1  0.253561  0.665657  0.470075  1
  Cu  Cu33  1  1.003561  0.505685  0.496493  1
  Cu  Cu34  1  0.753561  0.845733  0.496493  1
  Cu  Cu35  1  0.503561  0.505685  0.496493  1
  Cu  Cu36  1  0.253561  0.165636  0.496493  1
  Cu  Cu37  1  1.003561  1.005685  0.522913  1
  Cu  Cu38  1  0.753561  0.345713  0.522911  1
  Cu  Cu39  1  0.503561  1.005685  0.522913  1
  Cu  Cu40  1  0.253561  0.665657  0.522911  1
  Cu  Cu41  1  1.003561  0.505685  0.549330  1
  Cu  Cu42  1  0.753561  0.845648  0.549325  1
  Cu  Cu43  1  0.503561  0.505685  0.549330  1
  Cu  Cu44  1  0.253561  0.165721  0.549325  1
  Cu  Cu45  1  1.003561  1.005685  0.575758  1
  Cu  Cu46  1  0.753561  0.345497  0.575752  1
  Cu  Cu47  1  0.503561  1.005685  0.575758  1
  Cu  Cu48  1  0.253561  0.665873  0.575752  1
  Cu  Cu49  1  1.003561  0.505685  0.602157  1
  Cu  Cu50  1  0.753561  0.845203  0.602146  1
  Cu  Cu51  1  0.503561  0.505685  0.602157  1
  Cu  Cu52  1  0.253561  0.166166  0.602146  1
  Cu  Cu53  1  1.003561  1.005685  0.628632  1
  Cu  Cu54  1  0.753561  0.344560  0.628630  1
  Cu  Cu55  1  0.503561  1.005685  0.628632  1
  Cu  Cu56  1  0.253561  0.666810  0.628630  1
  Cu  Cu57  1  1.003561  0.505685  0.654784  1
  Cu  Cu58  1  0.753561  0.843902  0.654782  1
  Cu  Cu59  1  0.503561  0.505685  0.654784  1
  Cu  Cu60  1  0.253561  0.167468  0.654782  1
  Cu  Cu61  1  1.003561  1.005685  0.681048  1
  Cu  Cu62  1  0.753561  0.344674  0.681092  1
  Cu  Cu63  1  0.503561  1.005685  0.681048  1
  Cu  Cu64  1  0.253561  0.666696  0.681092  1
  Cu  Cu65  1  1.003561  0.505685  0.705671  1
  Cu  Cu66  1  0.753561  0.843602  0.705669  1
  Cu  Cu67  1  0.503561  0.505685  0.705671  1
  Cu  Cu68  1  0.253561  0.167768  0.705669  1
