# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09735748
_cell_length_b   6.39384980
_cell_length_c   46.22775306
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu44
_cell_volume   1148.92141879
_cell_formula_units_Z   44
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  0.967337  0.523731  0.289569  1
  Cu  Cu2  1  0.175468  0.943902  0.308477  1
  Cu  Cu3  1  0.356152  0.301317  0.280159  1
  Cu  Cu4  1  0.567580  0.725760  0.298866  1
  Cu  Cu5  1  0.394805  0.390950  0.329171  1
  Cu  Cu6  1  0.616539  0.841135  0.348703  1
  Cu  Cu7  1  0.786259  0.167903  0.315008  1
  Cu  Cu8  1  0.006138  0.617647  0.339538  1
  Cu  Cu9  1  0.832646  0.276685  0.368637  1
  Cu  Cu10  1  0.054127  0.723687  0.391419  1
  Cu  Cu11  1  0.222102  0.055031  0.359688  1
  Cu  Cu12  1  0.444399  0.502355  0.380567  1
  Cu  Cu13  1  0.273456  0.164855  0.411784  1
  Cu  Cu14  1  0.494528  0.608792  0.432864  1
  Cu  Cu15  1  0.664246  0.945420  0.401208  1
  Cu  Cu16  1  0.883415  0.385628  0.421880  1
  Cu  Cu17  1  0.714964  0.051628  0.453691  1
  Cu  Cu18  1  0.935156  0.493889  0.474635  1
  Cu  Cu19  1  0.104953  0.830544  0.443511  1
  Cu  Cu20  1  0.324840  0.272355  0.464166  1
  Cu  Cu21  1  0.155932  0.937310  0.495816  1
  Cu  Cu22  1  0.376154  0.379710  0.516619  1
  Cu  Cu23  1  0.545739  0.715979  0.485289  1
  Cu  Cu24  1  0.765962  0.158380  0.506092  1
  Cu  Cu25  1  0.597054  0.823334  0.537742  1
  Cu  Cu26  1  0.816941  0.265145  0.558397  1
  Cu  Cu27  1  0.986737  0.601800  0.527273  1
  Cu  Cu28  1  0.206930  0.044061  0.548217  1
  Cu  Cu29  1  0.038479  0.710061  0.580028  1
  Cu  Cu30  1  0.257648  0.150269  0.600700  1
  Cu  Cu31  1  0.427366  0.486897  0.569044  1
  Cu  Cu32  1  0.648437  0.930834  0.590124  1
  Cu  Cu33  1  0.477494  0.593335  0.621341  1
  Cu  Cu34  1  0.699791  0.040658  0.642221  1
  Cu  Cu35  1  0.867766  0.372002  0.610489  1
  Cu  Cu36  1  0.089247  0.819004  0.633271  1
  Cu  Cu37  1  0.915755  0.478042  0.662370  1
  Cu  Cu38  1  0.135634  0.927786  0.686900  1
  Cu  Cu39  1  0.305354  0.254554  0.653205  1
  Cu  Cu40  1  0.527089  0.704739  0.672737  1
  Cu  Cu41  1  0.354313  0.369929  0.703042  1
  Cu  Cu42  1  0.565741  0.794372  0.721749  1
  Cu  Cu43  1  0.746426  0.151787  0.693431  1
  Cu  Cu44  1  0.954556  0.571958  0.712339  1
