# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54571892
_cell_length_b   8.70768075
_cell_length_c   47.21046726
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.42121829
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1035.24545173
_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  0.841595  0.679054  0.307096  1
  Cu  Cu2  1  0.606931  0.210187  0.285026  1
  Cu  Cu3  1  0.469887  0.935517  0.302878  1
  Cu  Cu4  1  0.234590  0.465137  0.281366  1
  Cu  Cu5  1  0.308839  0.613583  0.352579  1
  Cu  Cu6  1  0.074884  0.145829  0.330251  1
  Cu  Cu7  1  0.936742  0.869283  0.348413  1
  Cu  Cu8  1  0.702718  0.401334  0.326269  1
  Cu  Cu9  1  0.775993  0.547901  0.398148  1
  Cu  Cu10  1  0.542075  0.080121  0.375574  1
  Cu  Cu11  1  0.403861  0.803537  0.394053  1
  Cu  Cu12  1  0.170151  0.336166  0.371661  1
  Cu  Cu13  1  0.243109  0.482131  0.443658  1
  Cu  Cu14  1  0.009354  0.014645  0.421007  1
  Cu  Cu15  1  0.871027  0.737872  0.439623  1
  Cu  Cu16  1  0.637324  0.270494  0.417058  1
  Cu  Cu17  1  0.710275  0.416457  0.489148  1
  Cu  Cu18  1  0.476590  0.949102  0.466481  1
  Cu  Cu19  1  0.338202  0.672218  0.485145  1
  Cu  Cu20  1  0.104527  0.204885  0.462503  1
  Cu  Cu21  1  0.177464  0.350825  0.534619  1
  Cu  Cu22  1  0.943789  0.883491  0.511977  1
  Cu  Cu23  1  0.805401  0.606607  0.530641  1
  Cu  Cu24  1  0.571716  0.139253  0.507974  1
  Cu  Cu25  1  0.644667  0.285216  0.580064  1
  Cu  Cu26  1  0.410964  0.817837  0.557498  1
  Cu  Cu27  1  0.272638  0.541064  0.576114  1
  Cu  Cu28  1  0.038882  0.073579  0.553464  1
  Cu  Cu29  1  0.111841  0.219543  0.625461  1
  Cu  Cu30  1  0.878131  0.752173  0.603069  1
  Cu  Cu31  1  0.739916  0.475588  0.621547  1
  Cu  Cu32  1  0.505998  0.007809  0.598974  1
  Cu  Cu33  1  0.579273  0.154376  0.670853  1
  Cu  Cu34  1  0.345249  0.686427  0.648709  1
  Cu  Cu35  1  0.207107  0.409881  0.666871  1
  Cu  Cu36  1  0.973152  0.942127  0.644543  1
  Cu  Cu37  1  0.047401  0.090572  0.715756  1
  Cu  Cu38  1  0.812104  0.620192  0.694244  1
  Cu  Cu39  1  0.675060  0.345522  0.712096  1
  Cu  Cu40  1  0.440397  0.876656  0.690026  1
