# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54059114
_cell_length_b   8.68181584
_cell_length_c   47.21141839
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.42753732
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1030.09525277
_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  0.738230  0.595688  0.278648  1
  Cu  Cu2  1  0.345353  0.809706  0.303365  1
  Cu  Cu3  1  0.973421  0.065641  0.299648  1
  Cu  Cu4  1  0.601516  0.321755  0.295648  1
  Cu  Cu5  1  0.206309  0.531642  0.322831  1
  Cu  Cu6  1  0.812576  0.744153  0.348572  1
  Cu  Cu7  1  0.440351  0.999568  0.344601  1
  Cu  Cu8  1  0.067978  0.254744  0.340654  1
  Cu  Cu9  1  0.673398  0.465740  0.367771  1
  Cu  Cu10  1  0.279374  0.677732  0.394223  1
  Cu  Cu11  1  0.907287  0.933458  0.390164  1
  Cu  Cu12  1  0.535131  0.189067  0.386214  1
  Cu  Cu13  1  0.140730  0.400372  0.413186  1
  Cu  Cu14  1  0.746506  0.611985  0.439848  1
  Cu  Cu15  1  0.374436  0.867761  0.435763  1
  Cu  Cu16  1  1.002329  0.123468  0.431779  1
  Cu  Cu17  1  0.607956  0.334810  0.458688  1
  Cu  Cu18  1  0.213675  0.546316  0.485430  1
  Cu  Cu19  1  0.841640  0.802167  0.481351  1
  Cu  Cu20  1  0.469552  0.057915  0.477342  1
  Cu  Cu21  1  0.075164  0.269223  0.504242  1
  Cu  Cu22  1  0.680884  0.480729  0.530989  1
  Cu  Cu23  1  0.308871  0.736626  0.526921  1
  Cu  Cu24  1  0.936790  0.992389  0.522911  1
  Cu  Cu25  1  0.542356  0.203608  0.549840  1
  Cu  Cu26  1  0.148120  0.415195  0.576514  1
  Cu  Cu27  1  0.776158  0.671195  0.572472  1
  Cu  Cu28  1  0.404068  0.926940  0.568485  1
  Cu  Cu29  1  0.009542  0.137989  0.595508  1
  Cu  Cu30  1  0.615419  0.349787  0.621994  1
  Cu  Cu31  1  0.243435  0.605737  0.617977  1
  Cu  Cu32  1  0.871482  0.861746  0.614065  1
  Cu  Cu33  1  0.476742  0.072413  0.641318  1
  Cu  Cu34  1  0.083027  0.285001  0.667260  1
  Cu  Cu35  1  0.710836  0.540520  0.663444  1
  Cu  Cu36  1  0.338519  0.795756  0.659423  1
  Cu  Cu37  1  0.943648  0.006280  0.686746  1
  Cu  Cu38  1  0.551264  0.221509  0.711590  1
  Cu  Cu39  1  0.178646  0.476132  0.708193  1
  Cu  Cu40  1  0.806408  0.731344  0.704291  1
