# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54117699
_cell_length_b   8.76130457
_cell_length_c   47.60892590
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.40115343
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1048.59226086
_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  0.977925  0.070678  0.298658  1
  Cu  Cu2  1  0.115103  0.343598  0.281107  1
  Cu  Cu3  1  0.741422  0.594462  0.277437  1
  Cu  Cu4  1  0.840409  0.793675  0.315233  1
  Cu  Cu5  1  0.444263  0.002350  0.343124  1
  Cu  Cu6  1  0.583176  0.280173  0.325220  1
  Cu  Cu7  1  0.211677  0.536195  0.321285  1
  Cu  Cu8  1  0.307552  0.728127  0.361195  1
  Cu  Cu9  1  0.912189  0.937868  0.388786  1
  Cu  Cu10  1  0.049821  0.213488  0.370444  1
  Cu  Cu11  1  0.678714  0.470674  0.366457  1
  Cu  Cu12  1  0.774483  0.662047  0.407132  1
  Cu  Cu13  1  0.379630  0.872675  0.434498  1
  Cu  Cu14  1  0.517507  0.148774  0.416144  1
  Cu  Cu15  1  0.145837  0.405026  0.411864  1
  Cu  Cu16  1  0.241676  0.596440  0.452864  1
  Cu  Cu17  1  0.846948  0.807287  0.480157  1
  Cu  Cu18  1  0.984905  0.083524  0.461813  1
  Cu  Cu19  1  0.613229  0.339836  0.457411  1
  Cu  Cu20  1  0.708943  0.530965  0.498522  1
  Cu  Cu21  1  0.314249  0.741876  0.525800  1
  Cu  Cu22  1  0.452208  0.018107  0.507480  1
  Cu  Cu23  1  0.080544  0.274470  0.503020  1
  Cu  Cu24  1  0.176221  0.465495  0.544148  1
  Cu  Cu25  1  0.781530  0.676424  0.571432  1
  Cu  Cu26  1  0.919467  0.952617  0.553162  1
  Cu  Cu27  1  0.547816  0.209010  0.548660  1
  Cu  Cu28  1  0.643578  0.400145  0.589760  1
  Cu  Cu29  1  0.249031  0.611348  0.617084  1
  Cu  Cu30  1  0.386643  0.886986  0.598884  1
  Cu  Cu31  1  0.014969  0.143318  0.594331  1
  Cu  Cu32  1  0.110696  0.334266  0.635289  1
  Cu  Cu33  1  0.716298  0.545456  0.662342  1
  Cu  Cu34  1  0.853837  0.821473  0.644654  1
  Cu  Cu35  1  0.481564  0.076521  0.640098  1
  Cu  Cu36  1  0.577310  0.267702  0.680146  1
  Cu  Cu37  1  0.183085  0.477710  0.706613  1
  Cu  Cu38  1  0.319808  0.753796  0.689339  1
  Cu  Cu39  1  0.948472  0.010425  0.685654  1
  Cu  Cu40  1  0.046045  0.206651  0.723780  1
