# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42040890
_cell_length_b   4.90350100
_cell_length_c   48.40742097
_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   1049.25405898
_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  0.172553  0.422250  0.304544  1
  Cu  Cu2  1  0.670924  0.555908  0.283992  1
  Cu  Cu3  1  0.333811  0.922250  0.304544  1
  Cu  Cu4  1  0.835440  0.055908  0.283992  1
  Cu  Cu5  1  0.170250  0.151172  0.349786  1
  Cu  Cu6  1  0.670683  0.285382  0.327719  1
  Cu  Cu7  1  0.336113  0.651172  0.349786  1
  Cu  Cu8  1  0.835680  0.785382  0.327719  1
  Cu  Cu9  1  0.171507  0.880431  0.395548  1
  Cu  Cu10  1  0.670703  0.015696  0.372953  1
  Cu  Cu11  1  0.334856  0.380431  0.395548  1
  Cu  Cu12  1  0.835660  0.515696  0.372953  1
  Cu  Cu13  1  0.171693  0.609296  0.441214  1
  Cu  Cu14  1  0.671625  0.744770  0.418485  1
  Cu  Cu15  1  0.334671  0.109296  0.441214  1
  Cu  Cu16  1  0.834739  0.244770  0.418485  1
  Cu  Cu17  1  0.171680  0.338237  0.486845  1
  Cu  Cu18  1  0.671668  0.473735  0.464073  1
  Cu  Cu19  1  0.334683  0.838237  0.486845  1
  Cu  Cu20  1  0.834696  0.973735  0.464073  1
  Cu  Cu21  1  0.171668  0.067190  0.532458  1
  Cu  Cu22  1  0.671680  0.202688  0.509686  1
  Cu  Cu23  1  0.334696  0.567190  0.532458  1
  Cu  Cu24  1  0.834683  0.702688  0.509686  1
  Cu  Cu25  1  0.171625  0.796154  0.578046  1
  Cu  Cu26  1  0.671693  0.931628  0.555317  1
  Cu  Cu27  1  0.334739  0.296154  0.578046  1
  Cu  Cu28  1  0.834671  0.431628  0.555317  1
  Cu  Cu29  1  0.170703  0.525229  0.623578  1
  Cu  Cu30  1  0.671507  0.660494  0.600983  1
  Cu  Cu31  1  0.335660  0.025229  0.623578  1
  Cu  Cu32  1  0.834856  0.160494  0.600983  1
  Cu  Cu33  1  0.170683  0.255542  0.668812  1
  Cu  Cu34  1  0.670250  0.389752  0.646745  1
  Cu  Cu35  1  0.335680  0.755542  0.668812  1
  Cu  Cu36  1  0.836113  0.889752  0.646745  1
  Cu  Cu37  1  0.170924  0.985017  0.712539  1
  Cu  Cu38  1  0.672553  0.118675  0.691987  1
  Cu  Cu39  1  0.335440  0.485017  0.712539  1
  Cu  Cu40  1  0.833811  0.618675  0.691987  1
