# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53505945
_cell_length_b   8.70763693
_cell_length_c   47.32424577
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.41996950
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1033.39331353
_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  0.973653  0.065417  0.298017  1
  Cu  Cu2  1  0.112262  0.341476  0.280366  1
  Cu  Cu3  1  0.740862  0.597161  0.276749  1
  Cu  Cu4  1  0.837087  0.790546  0.315933  1
  Cu  Cu5  1  0.441524  1.000256  0.343646  1
  Cu  Cu6  1  0.579262  0.275874  0.325485  1
  Cu  Cu7  1  0.207798  0.531945  0.321496  1
  Cu  Cu8  1  0.303874  0.724198  0.361874  1
  Cu  Cu9  1  0.908721  0.934356  0.389193  1
  Cu  Cu10  1  0.046863  0.210996  0.370873  1
  Cu  Cu11  1  0.675280  0.467216  0.366787  1
  Cu  Cu12  1  0.770824  0.658097  0.407645  1
  Cu  Cu13  1  0.375978  0.868752  0.434742  1
  Cu  Cu14  1  0.514088  0.145346  0.416297  1
  Cu  Cu15  1  0.142418  0.401568  0.412172  1
  Cu  Cu16  1  0.237876  0.592173  0.453254  1
  Cu  Cu17  1  0.843175  0.803081  0.480265  1
  Cu  Cu18  1  0.981314  0.079722  0.461781  1
  Cu  Cu19  1  0.609554  0.335836  0.457604  1
  Cu  Cu20  1  0.704993  0.526361  0.498780  1
  Cu  Cu21  1  0.310352  0.737384  0.525773  1
  Cu  Cu22  1  0.448475  0.013992  0.507300  1
  Cu  Cu23  1  0.076693  0.270084  0.503073  1
  Cu  Cu24  1  0.172153  0.460617  0.544252  1
  Cu  Cu25  1  0.777541  0.671699  0.571275  1
  Cu  Cu26  1  0.915568  0.948144  0.552863  1
  Cu  Cu27  1  0.543790  0.204241  0.548569  1
  Cu  Cu28  1  0.639343  0.394908  0.589660  1
  Cu  Cu29  1  0.244773  0.606048  0.616771  1
  Cu  Cu30  1  0.382584  0.882163  0.598504  1
  Cu  Cu31  1  0.010768  0.138158  0.594102  1
  Cu  Cu32  1  0.106423  0.328961  0.634935  1
  Cu  Cu33  1  0.711798  0.539818  0.662192  1
  Cu  Cu34  1  0.849513  0.816049  0.644275  1
  Cu  Cu35  1  0.477571  0.071752  0.639749  1
  Cu  Cu36  1  0.573881  0.263820  0.680056  1
  Cu  Cu37  1  0.178939  0.473183  0.707655  1
  Cu  Cu38  1  0.315861  0.748886  0.689889  1
  Cu  Cu39  1  0.944600  0.005905  0.685539  1
  Cu  Cu40  1  0.041230  0.199109  0.724662  1
