# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05801568
_cell_length_b   6.34390108
_cell_length_c   47.85405300
_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   1168.71899813
_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  0.760219  0.465200  0.294736  1
  Cu  Cu2  1  0.969268  0.890528  0.314326  1
  Cu  Cu3  1  0.146518  0.235913  0.286706  1
  Cu  Cu4  1  0.364544  0.676853  0.303854  1
  Cu  Cu5  1  0.187661  0.342206  0.334926  1
  Cu  Cu6  1  0.401948  0.785378  0.353448  1
  Cu  Cu7  1  0.580765  0.118239  0.321661  1
  Cu  Cu8  1  0.793776  0.561739  0.344451  1
  Cu  Cu9  1  0.612760  0.223109  0.372975  1
  Cu  Cu10  1  0.825096  0.669158  0.394320  1
  Cu  Cu11  1  0.006232  1.002462  0.363905  1
  Cu  Cu12  1  0.219577  0.448158  0.384374  1
  Cu  Cu13  1  0.035885  0.109918  0.414083  1
  Cu  Cu14  1  0.247644  0.553798  0.434356  1
  Cu  Cu15  1  0.430929  0.890013  0.403832  1
  Cu  Cu16  1  0.641889  0.331293  0.423723  1
  Cu  Cu17  1  0.458625  0.996139  0.454113  1
  Cu  Cu18  1  0.669400  0.438194  0.474247  1
  Cu  Cu19  1  0.852987  0.774972  0.444422  1
  Cu  Cu20  1  0.063671  0.216632  0.464292  1
  Cu  Cu21  1  0.880267  0.881012  0.494599  1
  Cu  Cu22  1  0.091044  0.323110  0.514475  1
  Cu  Cu23  1  0.275067  0.660090  0.484473  1
  Cu  Cu24  1  0.485843  0.102188  0.504349  1
  Cu  Cu25  1  0.302439  0.766568  0.534656  1
  Cu  Cu26  1  0.513124  0.208228  0.554526  1
  Cu  Cu27  1  0.696710  0.545006  0.524701  1
  Cu  Cu28  1  0.907486  0.987061  0.544835  1
  Cu  Cu29  1  0.724221  0.651907  0.575226  1
  Cu  Cu30  1  0.935181  0.093187  0.595116  1
  Cu  Cu31  1  0.118467  0.429401  0.564592  1
  Cu  Cu32  1  0.330225  0.873282  0.584866  1
  Cu  Cu33  1  0.146533  0.535042  0.614574  1
  Cu  Cu34  1  0.359879  0.980738  0.635043  1
  Cu  Cu35  1  0.541014  0.314042  0.604629  1
  Cu  Cu36  1  0.753350  0.760091  0.625973  1
  Cu  Cu37  1  0.572334  0.421461  0.654497  1
  Cu  Cu38  1  0.785345  0.864961  0.677288  1
  Cu  Cu39  1  0.964163  0.197822  0.645500  1
  Cu  Cu40  1  0.178449  0.640993  0.664023  1
  Cu  Cu41  1  1.001566  0.306347  0.695094  1
  Cu  Cu42  1  0.219592  0.747287  0.712242  1
  Cu  Cu43  1  0.396842  0.092671  0.684622  1
  Cu  Cu44  1  0.605891  0.517999  0.704213  1
