# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37526005
_cell_length_b   4.91659322
_cell_length_c   48.54394234
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1044.2468934
_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  0.172719  0.481089  0.301437  1
  Cu  Cu2  1  0.669534  0.606034  0.280815  1
  Cu  Cu3  1  0.334894  0.981089  0.301437  1
  Cu  Cu4  1  0.838079  0.106034  0.280815  1
  Cu  Cu5  1  0.171691  0.217230  0.346985  1
  Cu  Cu6  1  0.671783  0.344752  0.325173  1
  Cu  Cu7  1  0.335922  0.717230  0.346985  1
  Cu  Cu8  1  0.835830  0.844752  0.325173  1
  Cu  Cu9  1  0.171789  0.956282  0.392720  1
  Cu  Cu10  1  0.671419  0.085507  0.370236  1
  Cu  Cu11  1  0.335824  0.456282  0.392720  1
  Cu  Cu12  1  0.836194  0.585507  0.370236  1
  Cu  Cu13  1  0.171819  0.695831  0.438370  1
  Cu  Cu14  1  0.671705  0.825598  0.415692  1
  Cu  Cu15  1  0.335793  0.195831  0.438370  1
  Cu  Cu16  1  0.835907  0.325598  0.415692  1
  Cu  Cu17  1  0.171810  0.435540  0.483967  1
  Cu  Cu18  1  0.671785  0.565488  0.461230  1
  Cu  Cu19  1  0.335802  0.935540  0.483967  1
  Cu  Cu20  1  0.835827  0.065488  0.461230  1
  Cu  Cu21  1  0.171785  0.175326  0.529537  1
  Cu  Cu22  1  0.671810  0.305274  0.506801  1
  Cu  Cu23  1  0.335827  0.675326  0.529537  1
  Cu  Cu24  1  0.835802  0.805274  0.506801  1
  Cu  Cu25  1  0.171705  0.915216  0.575075  1
  Cu  Cu26  1  0.671819  0.044983  0.552397  1
  Cu  Cu27  1  0.335907  0.415216  0.575075  1
  Cu  Cu28  1  0.835793  0.544983  0.552397  1
  Cu  Cu29  1  0.171419  0.655307  0.620532  1
  Cu  Cu30  1  0.671789  0.784532  0.598047  1
  Cu  Cu31  1  0.336194  0.155307  0.620532  1
  Cu  Cu32  1  0.835824  0.284532  0.598047  1
  Cu  Cu33  1  0.171783  0.396062  0.665594  1
  Cu  Cu34  1  0.671691  0.523584  0.643782  1
  Cu  Cu35  1  0.335830  0.896062  0.665594  1
  Cu  Cu36  1  0.835922  0.023584  0.643782  1
  Cu  Cu37  1  0.169534  0.134780  0.709952  1
  Cu  Cu38  1  0.672719  0.259725  0.689330  1
  Cu  Cu39  1  0.338079  0.634780  0.709952  1
  Cu  Cu40  1  0.834894  0.759725  0.689330  1
