# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53522727
_cell_length_b   8.77084942
_cell_length_c   47.64567520
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.38637605
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1048.12514198
_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  0.495181  0.978023  0.273335  1
  Cu  Cu2  1  0.731785  0.453048  0.294751  1
  Cu  Cu3  1  0.360138  0.707710  0.290502  1
  Cu  Cu4  1  0.594806  0.176358  0.311016  1
  Cu  Cu5  1  0.965528  0.918664  0.317114  1
  Cu  Cu6  1  0.198424  0.384953  0.339031  1
  Cu  Cu7  1  0.827006  0.641187  0.334900  1
  Cu  Cu8  1  0.061778  0.110510  0.356918  1
  Cu  Cu9  1  0.432604  0.852728  0.362082  1
  Cu  Cu10  1  0.666206  0.320032  0.384638  1
  Cu  Cu11  1  0.294658  0.576339  0.380307  1
  Cu  Cu12  1  0.528725  0.044355  0.402784  1
  Cu  Cu13  1  0.899967  0.787357  0.407636  1
  Cu  Cu14  1  0.133611  0.254631  0.430319  1
  Cu  Cu15  1  0.762111  0.511089  0.425830  1
  Cu  Cu16  1  0.995944  0.978674  0.448499  1
  Cu  Cu17  1  0.367274  0.721851  0.453222  1
  Cu  Cu18  1  0.600960  0.189173  0.475961  1
  Cu  Cu19  1  0.229497  0.445711  0.471413  1
  Cu  Cu20  1  0.463231  0.913113  0.494151  1
  Cu  Cu21  1  0.834583  0.656338  0.498840  1
  Cu  Cu22  1  0.068317  0.123740  0.521578  1
  Cu  Cu23  1  0.696854  0.380278  0.517030  1
  Cu  Cu24  1  0.930540  0.847600  0.539770  1
  Cu  Cu25  1  0.301870  0.590777  0.544492  1
  Cu  Cu26  1  0.535703  0.058362  0.567161  1
  Cu  Cu27  1  0.164203  0.314820  0.562672  1
  Cu  Cu28  1  0.397847  0.782094  0.585355  1
  Cu  Cu29  1  0.769090  0.525096  0.590208  1
  Cu  Cu30  1  1.003156  0.993112  0.612685  1
  Cu  Cu31  1  0.631608  0.249419  0.608353  1
  Cu  Cu32  1  0.865210  0.716722  0.630909  1
  Cu  Cu33  1  0.236036  0.458941  0.636074  1
  Cu  Cu34  1  0.470808  0.928264  0.658092  1
  Cu  Cu35  1  0.099390  0.184498  0.653961  1
  Cu  Cu36  1  0.332286  0.650787  0.675877  1
  Cu  Cu37  1  0.703008  0.393093  0.681975  1
  Cu  Cu38  1  0.937676  0.861741  0.702489  1
  Cu  Cu39  1  0.566029  0.116402  0.698240  1
  Cu  Cu40  1  0.802633  0.591428  0.719656  1
