# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06596390
_cell_length_b   6.33158278
_cell_length_c   47.94823211
_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   1171.03442196
_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  0.824886  0.473589  0.293970  1
  Cu  Cu2  1  0.031758  0.898479  0.313564  1
  Cu  Cu3  1  0.211688  0.244578  0.285992  1
  Cu  Cu4  1  0.428292  0.684895  0.303108  1
  Cu  Cu5  1  0.245135  0.349524  0.334151  1
  Cu  Cu6  1  0.454472  0.792110  0.352631  1
  Cu  Cu7  1  0.641648  0.125936  0.320865  1
  Cu  Cu8  1  0.848834  0.568756  0.343622  1
  Cu  Cu9  1  0.659613  0.229166  0.372124  1
  Cu  Cu10  1  0.864276  0.674398  0.393443  1
  Cu  Cu11  1  0.055785  0.008860  0.363087  1
  Cu  Cu12  1  0.262310  0.453793  0.383531  1
  Cu  Cu13  1  0.068077  0.114444  0.413209  1
  Cu  Cu14  1  0.272275  0.557478  0.433450  1
  Cu  Cu15  1  0.466788  0.894933  0.402956  1
  Cu  Cu16  1  0.670610  0.335397  0.422823  1
  Cu  Cu17  1  0.475675  0.999021  0.453187  1
  Cu  Cu18  1  0.678742  0.440234  0.473299  1
  Cu  Cu19  1  0.873724  0.778227  0.443498  1
  Cu  Cu20  1  0.076825  0.219116  0.463363  1
  Cu  Cu21  1  0.881662  0.882196  0.493628  1
  Cu  Cu22  1  0.084709  0.323496  0.513491  1
  Cu  Cu23  1  0.280419  0.661687  0.483511  1
  Cu  Cu24  1  0.483466  0.102988  0.503374  1
  Cu  Cu25  1  0.288303  0.766067  0.533640  1
  Cu  Cu26  1  0.491404  0.206956  0.553504  1
  Cu  Cu27  1  0.686387  0.544949  0.523704  1
  Cu  Cu28  1  0.889453  0.986162  0.543815  1
  Cu  Cu29  1  0.694518  0.649786  0.574179  1
  Cu  Cu30  1  0.898341  0.090250  0.594047  1
  Cu  Cu31  1  0.092853  0.427705  0.563552  1
  Cu  Cu32  1  0.297051  0.870739  0.583794  1
  Cu  Cu33  1  0.102818  0.531391  0.613471  1
  Cu  Cu34  1  0.309343  0.976323  0.633916  1
  Cu  Cu35  1  0.500853  0.310785  0.603559  1
  Cu  Cu36  1  0.705515  0.756017  0.624879  1
  Cu  Cu37  1  0.516294  0.416427  0.653380  1
  Cu  Cu38  1  0.723480  0.859248  0.676137  1
  Cu  Cu39  1  0.910656  0.193073  0.644371  1
  Cu  Cu40  1  0.119993  0.635659  0.662851  1
  Cu  Cu41  1  0.936836  0.300288  0.693895  1
  Cu  Cu42  1  0.153440  0.740605  0.711011  1
  Cu  Cu43  1  0.333370  0.086704  0.683439  1
  Cu  Cu44  1  0.540243  0.511594  0.703032  1
