# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54046880
_cell_length_b   8.68198754
_cell_length_c   47.20911162
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.42749082
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1030.01581546
_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  0.738239  0.595690  0.278656  1
  Cu  Cu2  1  0.345366  0.809709  0.303374  1
  Cu  Cu3  1  0.973439  0.065646  0.299656  1
  Cu  Cu4  1  0.601536  0.321761  0.295656  1
  Cu  Cu5  1  0.206321  0.531643  0.322840  1
  Cu  Cu6  1  0.812587  0.744152  0.348583  1
  Cu  Cu7  1  0.440365  0.999568  0.344610  1
  Cu  Cu8  1  0.067994  0.254745  0.340663  1
  Cu  Cu9  1  0.673409  0.465738  0.367782  1
  Cu  Cu10  1  0.279383  0.677728  0.394235  1
  Cu  Cu11  1  0.907299  0.933455  0.390174  1
  Cu  Cu12  1  0.535145  0.189065  0.386224  1
  Cu  Cu13  1  0.140741  0.400367  0.413197  1
  Cu  Cu14  1  0.746514  0.611978  0.439861  1
  Cu  Cu15  1  0.374447  0.867755  0.435775  1
  Cu  Cu16  1  1.002342  0.123464  0.431790  1
  Cu  Cu17  1  0.607965  0.334803  0.458701  1
  Cu  Cu18  1  0.213681  0.546306  0.485444  1
  Cu  Cu19  1  0.841649  0.802159  0.481364  1
  Cu  Cu20  1  0.469563  0.057907  0.477354  1
  Cu  Cu21  1  0.075172  0.269212  0.504256  1
  Cu  Cu22  1  0.680890  0.480716  0.531004  1
  Cu  Cu23  1  0.308878  0.736614  0.526935  1
  Cu  Cu24  1  0.936800  0.992378  0.522925  1
  Cu  Cu25  1  0.542362  0.203594  0.549855  1
  Cu  Cu26  1  0.148124  0.415179  0.576530  1
  Cu  Cu27  1  0.776165  0.671181  0.572487  1
  Cu  Cu28  1  0.404077  0.926927  0.568500  1
  Cu  Cu29  1  0.009546  0.137973  0.595524  1
  Cu  Cu30  1  0.615422  0.349769  0.622012  1
  Cu  Cu31  1  0.243440  0.605720  0.617994  1
  Cu  Cu32  1  0.871489  0.861730  0.614081  1
  Cu  Cu33  1  0.476744  0.072393  0.641335  1
  Cu  Cu34  1  0.083029  0.284980  0.667279  1
  Cu  Cu35  1  0.710840  0.540500  0.663462  1
  Cu  Cu36  1  0.338526  0.795737  0.659440  1
  Cu  Cu37  1  0.943648  0.006257  0.686766  1
  Cu  Cu38  1  0.551265  0.221487  0.711609  1
  Cu  Cu39  1  0.178648  0.476108  0.708212  1
  Cu  Cu40  1  0.806415  0.731319  0.704310  1
