# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52418413
_cell_length_b   8.79771165
_cell_length_c   47.26899967
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.31236900
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1038.67719805
_cell_formula_units_Z   40
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  0.981500  0.078869  0.298078  1
  Cu  Cu2  1  0.117968  0.350749  0.280694  1
  Cu  Cu3  1  0.744127  0.601291  0.276615  1
  Cu  Cu4  1  0.844336  0.802940  0.314434  1
  Cu  Cu5  1  0.448513  0.012359  0.343170  1
  Cu  Cu6  1  0.586578  0.288268  0.325455  1
  Cu  Cu7  1  0.214995  0.543968  0.321096  1
  Cu  Cu8  1  0.311963  0.738410  0.360901  1
  Cu  Cu9  1  0.916787  0.948658  0.388812  1
  Cu  Cu10  1  0.054400  0.224035  0.370655  1
  Cu  Cu11  1  0.683081  0.480707  0.366505  1
  Cu  Cu12  1  0.779491  0.673618  0.406974  1
  Cu  Cu13  1  0.384916  0.884883  0.434388  1
  Cu  Cu14  1  0.522627  0.160537  0.416087  1
  Cu  Cu15  1  0.150927  0.416679  0.411864  1
  Cu  Cu16  1  0.247282  0.609310  0.452719  1
  Cu  Cu17  1  0.852978  0.821047  0.479923  1
  Cu  Cu18  1  0.990720  0.096780  0.461580  1
  Cu  Cu19  1  0.618928  0.352845  0.457309  1
  Cu  Cu20  1  0.715206  0.545252  0.498319  1
  Cu  Cu21  1  0.321023  0.757196  0.525438  1
  Cu  Cu22  1  0.458733  0.032882  0.507127  1
  Cu  Cu23  1  0.086904  0.288916  0.502800  1
  Cu  Cu24  1  0.183169  0.481271  0.543826  1
  Cu  Cu25  1  0.789049  0.693306  0.570932  1
  Cu  Cu26  1  0.926665  0.968838  0.552740  1
  Cu  Cu27  1  0.554824  0.224862  0.548338  1
  Cu  Cu28  1  0.651187  0.417408  0.589252  1
  Cu  Cu29  1  0.257183  0.629598  0.616426  1
  Cu  Cu30  1  0.394490  0.904606  0.598458  1
  Cu  Cu31  1  0.022556  0.160438  0.593944  1
  Cu  Cu32  1  0.118690  0.352573  0.634481  1
  Cu  Cu33  1  0.724459  0.564156  0.661626  1
  Cu  Cu34  1  0.862412  0.840591  0.644406  1
  Cu  Cu35  1  0.489840  0.095162  0.639789  1
  Cu  Cu36  1  0.587009  0.289433  0.679604  1
  Cu  Cu37  1  0.192498  0.499662  0.706934  1
  Cu  Cu38  1  0.327717  0.771464  0.689293  1
  Cu  Cu39  1  0.957745  0.031280  0.685802  1
  Cu  Cu40  1  0.057027  0.230058  0.723949  1
