# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42400709
_cell_length_b   4.90979869
_cell_length_c   48.36993588
_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   1050.64261387
_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  0.171729  0.420354  0.305145  1
  Cu  Cu2  1  0.670875  0.554715  0.284238  1
  Cu  Cu3  1  0.334026  0.920354  0.305145  1
  Cu  Cu4  1  0.834880  0.054715  0.284238  1
  Cu  Cu5  1  0.169872  0.150108  0.350370  1
  Cu  Cu6  1  0.670109  0.284539  0.328141  1
  Cu  Cu7  1  0.335883  0.650108  0.350370  1
  Cu  Cu8  1  0.835646  0.784539  0.328141  1
  Cu  Cu9  1  0.170900  0.879321  0.396079  1
  Cu  Cu10  1  0.670258  0.014711  0.373434  1
  Cu  Cu11  1  0.334855  0.379321  0.396079  1
  Cu  Cu12  1  0.835497  0.514711  0.373434  1
  Cu  Cu13  1  0.171036  0.608092  0.441713  1
  Cu  Cu14  1  0.670994  0.743651  0.418966  1
  Cu  Cu15  1  0.334718  0.108092  0.441713  1
  Cu  Cu16  1  0.834761  0.243651  0.418966  1
  Cu  Cu17  1  0.171031  0.336918  0.487323  1
  Cu  Cu18  1  0.671021  0.472493  0.464546  1
  Cu  Cu19  1  0.334724  0.836918  0.487323  1
  Cu  Cu20  1  0.834734  0.972493  0.464546  1
  Cu  Cu21  1  0.171021  0.065749  0.532920  1
  Cu  Cu22  1  0.671031  0.201324  0.510142  1
  Cu  Cu23  1  0.334734  0.565749  0.532920  1
  Cu  Cu24  1  0.834724  0.701324  0.510142  1
  Cu  Cu25  1  0.170994  0.794591  0.578499  1
  Cu  Cu26  1  0.671036  0.930150  0.555752  1
  Cu  Cu27  1  0.334761  0.294591  0.578499  1
  Cu  Cu28  1  0.834718  0.430150  0.555752  1
  Cu  Cu29  1  0.170258  0.523531  0.624032  1
  Cu  Cu30  1  0.670900  0.658921  0.601387  1
  Cu  Cu31  1  0.335497  0.023531  0.624032  1
  Cu  Cu32  1  0.834855  0.158921  0.601387  1
  Cu  Cu33  1  0.170109  0.253703  0.669325  1
  Cu  Cu34  1  0.669872  0.388134  0.647096  1
  Cu  Cu35  1  0.335646  0.753703  0.669325  1
  Cu  Cu36  1  0.835883  0.888134  0.647096  1
  Cu  Cu37  1  0.170875  0.983527  0.713227  1
  Cu  Cu38  1  0.671729  0.117888  0.692321  1
  Cu  Cu39  1  0.334880  0.483527  0.713227  1
  Cu  Cu40  1  0.834026  0.617888  0.692321  1
