# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08727276
_cell_length_b   5.08727276
_cell_length_c   45.87687694
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1028.24007102
_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  1.001440  0.254729  0.307636  1
  Cu  Cu2  1  1.001440  0.747945  0.307636  1
  Cu  Cu3  1  0.170368  0.085801  0.266324  1
  Cu  Cu4  1  0.508225  0.254729  0.307636  1
  Cu  Cu5  1  0.338182  0.917987  0.351785  1
  Cu  Cu6  1  0.338182  0.421429  0.351785  1
  Cu  Cu7  1  0.503702  0.752468  0.304516  1
  Cu  Cu8  1  0.834741  0.917987  0.351785  1
  Cu  Cu9  1  0.669954  0.586216  0.397776  1
  Cu  Cu10  1  0.669954  0.084972  0.397776  1
  Cu  Cu11  1  0.837035  0.419135  0.352842  1
  Cu  Cu12  1  0.171198  0.586216  0.397776  1
  Cu  Cu13  1  0.003856  0.252314  0.443299  1
  Cu  Cu14  1  0.003856  0.752776  0.443299  1
  Cu  Cu15  1  0.170368  0.085801  0.397380  1
  Cu  Cu16  1  0.503393  0.252314  0.443299  1
  Cu  Cu17  1  0.336957  0.919212  0.489010  1
  Cu  Cu18  1  0.336957  0.418979  0.489010  1
  Cu  Cu19  1  0.503702  0.752468  0.443445  1
  Cu  Cu20  1  0.837191  0.919212  0.489010  1
  Cu  Cu21  1  0.670455  0.585714  0.534626  1
  Cu  Cu22  1  0.670455  0.085975  0.534626  1
  Cu  Cu23  1  0.837035  0.419135  0.488937  1
  Cu  Cu24  1  0.170195  0.585714  0.534626  1
  Cu  Cu25  1  1.003468  0.252701  0.580353  1
  Cu  Cu26  1  1.003468  0.752001  0.580353  1
  Cu  Cu27  1  0.170368  0.085801  0.534714  1
  Cu  Cu28  1  0.504169  0.252701  0.580353  1
  Cu  Cu29  1  0.337463  0.918707  0.625807  1
  Cu  Cu30  1  0.337463  0.419990  0.625807  1
  Cu  Cu31  1  0.503702  0.752468  0.580163  1
  Cu  Cu32  1  0.836179  0.918707  0.625807  1
  Cu  Cu33  1  0.668807  0.587363  0.671716  1
  Cu  Cu34  1  0.668807  0.082678  0.671716  1
  Cu  Cu35  1  0.837035  0.419135  0.626414  1
  Cu  Cu36  1  0.173492  0.587363  0.671716  1
  Cu  Cu37  1  0.004196  0.251974  0.715340  1
  Cu  Cu38  1  0.004196  0.753456  0.715340  1
  Cu  Cu39  1  0.170368  0.085801  0.670574  1
  Cu  Cu40  1  0.502714  0.251974  0.715340  1
