# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40993684
_cell_length_b   4.87244972
_cell_length_c   48.14586699
_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   1034.51965894
_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  0.171096  0.044332  0.282806  1
  Cu  Cu2  1  0.672293  0.910299  0.304255  1
  Cu  Cu3  1  0.332897  0.544332  0.282806  1
  Cu  Cu4  1  0.831699  0.410299  0.304255  1
  Cu  Cu5  1  0.171058  0.772175  0.327672  1
  Cu  Cu6  1  0.670489  0.636676  0.349956  1
  Cu  Cu7  1  0.332934  0.272175  0.327672  1
  Cu  Cu8  1  0.833504  0.136676  0.349956  1
  Cu  Cu9  1  0.169666  0.499612  0.373000  1
  Cu  Cu10  1  0.669727  0.363771  0.395572  1
  Cu  Cu11  1  0.334326  0.999612  0.373000  1
  Cu  Cu12  1  0.834266  0.863771  0.395572  1
  Cu  Cu13  1  0.169572  0.227101  0.418428  1
  Cu  Cu14  1  0.669618  0.090965  0.441106  1
  Cu  Cu15  1  0.334421  0.727101  0.418428  1
  Cu  Cu16  1  0.834375  0.590965  0.441106  1
  Cu  Cu17  1  0.169577  0.954482  0.463898  1
  Cu  Cu18  1  0.669591  0.818241  0.486610  1
  Cu  Cu19  1  0.334415  0.454482  0.463898  1
  Cu  Cu20  1  0.834402  0.318241  0.486610  1
  Cu  Cu21  1  0.169591  0.681805  0.509386  1
  Cu  Cu22  1  0.669577  0.545564  0.532098  1
  Cu  Cu23  1  0.334402  0.181805  0.509386  1
  Cu  Cu24  1  0.834415  0.045564  0.532098  1
  Cu  Cu25  1  0.169618  0.409081  0.554890  1
  Cu  Cu26  1  0.669572  0.272944  0.577568  1
  Cu  Cu27  1  0.334375  0.909081  0.554890  1
  Cu  Cu28  1  0.834421  0.772944  0.577568  1
  Cu  Cu29  1  0.169727  0.136275  0.600424  1
  Cu  Cu30  1  0.669666  1.000433  0.622996  1
  Cu  Cu31  1  0.334266  0.636275  0.600424  1
  Cu  Cu32  1  0.834326  0.500433  0.622996  1
  Cu  Cu33  1  0.170489  0.863370  0.646040  1
  Cu  Cu34  1  0.671058  0.727870  0.668324  1
  Cu  Cu35  1  0.333504  0.363370  0.646040  1
  Cu  Cu36  1  0.832934  0.227870  0.668324  1
  Cu  Cu37  1  0.172293  0.589747  0.691741  1
  Cu  Cu38  1  0.671096  0.455714  0.713190  1
  Cu  Cu39  1  0.331699  0.089747  0.691741  1
  Cu  Cu40  1  0.832897  0.955714  0.713190  1
