# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91402031
_cell_length_b   6.11172930
_cell_length_c   46.22019887
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu44
_cell_volume   1048.91488644
_cell_formula_units_Z   44
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  0.740172  0.466192  0.294598  1
  Cu  Cu2  1  0.949368  0.891140  0.313584  1
  Cu  Cu3  1  0.128315  0.240598  0.287406  1
  Cu  Cu4  1  0.343690  0.676119  0.303558  1
  Cu  Cu5  1  0.169179  0.344068  0.334953  1
  Cu  Cu6  1  0.384599  0.786581  0.352926  1
  Cu  Cu7  1  0.561470  0.119263  0.321080  1
  Cu  Cu8  1  0.776024  0.563660  0.343948  1
  Cu  Cu9  1  0.597382  0.224447  0.372424  1
  Cu  Cu10  1  0.812206  0.670572  0.393837  1
  Cu  Cu11  1  0.989530  1.002914  0.363259  1
  Cu  Cu12  1  0.205575  0.449912  0.384132  1
  Cu  Cu13  1  0.025185  0.110739  0.413539  1
  Cu  Cu14  1  0.239679  0.555143  0.434020  1
  Cu  Cu15  1  0.419055  0.891170  0.403338  1
  Cu  Cu16  1  0.632513  0.332439  0.423249  1
  Cu  Cu17  1  0.453203  0.997112  0.453659  1
  Cu  Cu18  1  0.666675  0.439170  0.473812  1
  Cu  Cu19  1  0.846325  0.776139  0.443971  1
  Cu  Cu20  1  0.059562  0.217413  0.463806  1
  Cu  Cu21  1  0.880316  0.881941  0.494183  1
  Cu  Cu22  1  0.093733  0.323755  0.514004  1
  Cu  Cu23  1  0.273780  0.661175  0.484110  1
  Cu  Cu24  1  0.487197  0.102989  0.503932  1
  Cu  Cu25  1  0.307952  0.767517  0.534308  1
  Cu  Cu26  1  0.521188  0.208791  0.554143  1
  Cu  Cu27  1  0.700838  0.545760  0.524303  1
  Cu  Cu28  1  0.914310  0.987818  0.544455  1
  Cu  Cu29  1  0.735000  0.652491  0.574865  1
  Cu  Cu30  1  0.948458  0.093760  0.594776  1
  Cu  Cu31  1  0.127834  0.429787  0.564094  1
  Cu  Cu32  1  0.342328  0.874192  0.584575  1
  Cu  Cu33  1  0.161938  0.535019  0.613982  1
  Cu  Cu34  1  0.377983  0.982016  0.634855  1
  Cu  Cu35  1  0.555307  0.314358  0.604277  1
  Cu  Cu36  1  0.770131  0.760483  0.625691  1
  Cu  Cu37  1  0.591489  0.421270  0.654166  1
  Cu  Cu38  1  0.806044  0.865667  0.677034  1
  Cu  Cu39  1  0.982914  0.198349  0.645188  1
  Cu  Cu40  1  0.198335  0.640863  0.663161  1
  Cu  Cu41  1  0.023823  0.308811  0.694556  1
  Cu  Cu42  1  0.239199  0.744332  0.710708  1
  Cu  Cu43  1  0.418145  0.093790  0.684530  1
  Cu  Cu44  1  0.627341  0.518738  0.703516  1
