# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54058742
_cell_length_b   8.68179763
_cell_length_c   47.21095742
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.57246264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1030.08152631
_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  0.142877  0.595688  0.278650  1
  Cu  Cu2  1  0.535755  0.809706  0.303367  1
  Cu  Cu3  1  0.907687  0.065641  0.299650  1
  Cu  Cu4  1  0.279592  0.321756  0.295651  1
  Cu  Cu5  1  0.674798  0.531643  0.322833  1
  Cu  Cu6  1  0.068532  0.744153  0.348575  1
  Cu  Cu7  1  0.440757  0.999569  0.344604  1
  Cu  Cu8  1  0.813130  0.254745  0.340657  1
  Cu  Cu9  1  0.207710  0.465741  0.367774  1
  Cu  Cu10  1  0.601734  0.677733  0.394227  1
  Cu  Cu11  1  0.973821  0.933459  0.390167  1
  Cu  Cu12  1  0.345977  0.189068  0.386217  1
  Cu  Cu13  1  0.740378  0.400373  0.413189  1
  Cu  Cu14  1  0.134602  0.611986  0.439852  1
  Cu  Cu15  1  0.506672  0.867762  0.435767  1
  Cu  Cu16  1  0.878778  0.123469  0.431783  1
  Cu  Cu17  1  0.273152  0.334811  0.458692  1
  Cu  Cu18  1  0.667433  0.546317  0.485435  1
  Cu  Cu19  1  0.039468  0.802168  0.481355  1
  Cu  Cu20  1  0.411555  0.057916  0.477346  1
  Cu  Cu21  1  0.805943  0.269224  0.504247  1
  Cu  Cu22  1  0.200223  0.480730  0.530994  1
  Cu  Cu23  1  0.572237  0.736627  0.526926  1
  Cu  Cu24  1  0.944318  0.992390  0.522916  1
  Cu  Cu25  1  0.338752  0.203609  0.549845  1
  Cu  Cu26  1  0.732988  0.415196  0.576520  1
  Cu  Cu27  1  0.104949  0.671197  0.572477  1
  Cu  Cu28  1  0.477039  0.926941  0.568491  1
  Cu  Cu29  1  0.871566  0.137991  0.595514  1
  Cu  Cu30  1  0.265688  0.349789  0.622000  1
  Cu  Cu31  1  0.637673  0.605738  0.617984  1
  Cu  Cu32  1  0.009626  0.861747  0.614071  1
  Cu  Cu33  1  0.404366  0.072414  0.641324  1
  Cu  Cu34  1  0.798080  0.285003  0.667267  1
  Cu  Cu35  1  0.170272  0.540522  0.663451  1
  Cu  Cu36  1  0.542588  0.795757  0.659429  1
  Cu  Cu37  1  0.937459  0.006282  0.686753  1
  Cu  Cu38  1  0.329843  0.221510  0.711597  1
  Cu  Cu39  1  0.702461  0.476133  0.708200  1
  Cu  Cu40  1  0.074700  0.731346  0.704299  1
