# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40395055
_cell_length_b   4.84929305
_cell_length_c   48.13728481
_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   1028.02210654
_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  0.170688  0.038073  0.283069  1
  Cu  Cu2  1  0.672239  0.904833  0.303961  1
  Cu  Cu3  1  0.334591  0.538073  0.283069  1
  Cu  Cu4  1  0.833040  0.404833  0.303961  1
  Cu  Cu5  1  0.170688  0.765369  0.327384  1
  Cu  Cu6  1  0.670395  0.630160  0.349402  1
  Cu  Cu7  1  0.334591  0.265369  0.327384  1
  Cu  Cu8  1  0.834883  0.130160  0.349402  1
  Cu  Cu9  1  0.169898  0.492478  0.372551  1
  Cu  Cu10  1  0.670290  0.356495  0.395109  1
  Cu  Cu11  1  0.335380  0.992478  0.372551  1
  Cu  Cu12  1  0.834989  0.856495  0.395109  1
  Cu  Cu13  1  0.170238  0.219469  0.418031  1
  Cu  Cu14  1  0.670345  0.083078  0.440735  1
  Cu  Cu15  1  0.335041  0.719469  0.418031  1
  Cu  Cu16  1  0.834934  0.583078  0.440735  1
  Cu  Cu17  1  0.170311  0.946290  0.463574  1
  Cu  Cu18  1  0.670331  0.809767  0.486323  1
  Cu  Cu19  1  0.334968  0.446290  0.463574  1
  Cu  Cu20  1  0.834948  0.309767  0.486323  1
  Cu  Cu21  1  0.170331  0.673037  0.509142  1
  Cu  Cu22  1  0.670311  0.536515  0.531891  1
  Cu  Cu23  1  0.334948  0.173037  0.509142  1
  Cu  Cu24  1  0.834968  0.036515  0.531891  1
  Cu  Cu25  1  0.170345  0.399726  0.554730  1
  Cu  Cu26  1  0.670238  0.263335  0.577434  1
  Cu  Cu27  1  0.334934  0.899726  0.554730  1
  Cu  Cu28  1  0.835041  0.763335  0.577434  1
  Cu  Cu29  1  0.170290  0.126310  0.600356  1
  Cu  Cu30  1  0.669898  0.990326  0.622914  1
  Cu  Cu31  1  0.334989  0.626310  0.600356  1
  Cu  Cu32  1  0.835380  0.490326  0.622914  1
  Cu  Cu33  1  0.170395  0.852645  0.646062  1
  Cu  Cu34  1  0.670688  0.717435  0.668081  1
  Cu  Cu35  1  0.334883  0.352645  0.646062  1
  Cu  Cu36  1  0.834591  0.217435  0.668081  1
  Cu  Cu37  1  0.172239  0.577971  0.691504  1
  Cu  Cu38  1  0.670688  0.444732  0.712396  1
  Cu  Cu39  1  0.333040  0.077971  0.691504  1
  Cu  Cu40  1  0.834591  0.944732  0.712396  1
