# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08717029
_cell_length_b   5.08717029
_cell_length_c   45.87594545
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1028.1777732
_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  0.746711  0.254729  0.307636  1
  Cu  Cu2  1  0.253495  0.747945  0.307636  1
  Cu  Cu3  1  0.084567  0.085801  0.266323  1
  Cu  Cu4  1  0.253495  0.254729  0.307636  1
  Cu  Cu5  1  0.420195  0.917987  0.351785  1
  Cu  Cu6  1  0.916753  0.421429  0.351785  1
  Cu  Cu7  1  0.751234  0.752468  0.304515  1
  Cu  Cu8  1  0.916753  0.917987  0.351785  1
  Cu  Cu9  1  0.083738  0.586216  0.397776  1
  Cu  Cu10  1  0.584982  0.084971  0.397776  1
  Cu  Cu11  1  0.417900  0.419134  0.352842  1
  Cu  Cu12  1  0.584982  0.586216  0.397776  1
  Cu  Cu13  1  0.751542  0.252313  0.443299  1
  Cu  Cu14  1  0.251079  0.752776  0.443299  1
  Cu  Cu15  1  0.084567  0.085801  0.397380  1
  Cu  Cu16  1  0.251079  0.252313  0.443299  1
  Cu  Cu17  1  0.417745  0.919212  0.489010  1
  Cu  Cu18  1  0.917978  0.418978  0.489010  1
  Cu  Cu19  1  0.751234  0.752468  0.443444  1
  Cu  Cu20  1  0.917978  0.919212  0.489010  1
  Cu  Cu21  1  0.084741  0.585714  0.534626  1
  Cu  Cu22  1  0.584480  0.085975  0.534626  1
  Cu  Cu23  1  0.417900  0.419134  0.488937  1
  Cu  Cu24  1  0.584480  0.585714  0.534626  1
  Cu  Cu25  1  0.750767  0.252701  0.580352  1
  Cu  Cu26  1  0.251467  0.752000  0.580352  1
  Cu  Cu27  1  0.084567  0.085801  0.534714  1
  Cu  Cu28  1  0.251467  0.252701  0.580352  1
  Cu  Cu29  1  0.418756  0.918706  0.625806  1
  Cu  Cu30  1  0.917473  0.419990  0.625806  1
  Cu  Cu31  1  0.751234  0.752468  0.580162  1
  Cu  Cu32  1  0.917473  0.918706  0.625806  1
  Cu  Cu33  1  0.081444  0.587363  0.671715  1
  Cu  Cu34  1  0.586129  0.082678  0.671715  1
  Cu  Cu35  1  0.417900  0.419134  0.626414  1
  Cu  Cu36  1  0.586129  0.587363  0.671715  1
  Cu  Cu37  1  0.752222  0.251973  0.715340  1
  Cu  Cu38  1  0.250740  0.753456  0.715340  1
  Cu  Cu39  1  0.084567  0.085801  0.670574  1
  Cu  Cu40  1  0.250740  0.251973  0.715340  1
