# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54493965
_cell_length_b   8.76927590
_cell_length_c   47.56854665
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.40132036
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1050.20840654
_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  0.977016  0.070013  0.299164  1
  Cu  Cu2  1  0.114402  0.343848  0.281393  1
  Cu  Cu3  1  0.740719  0.594909  0.277646  1
  Cu  Cu4  1  0.839292  0.792990  0.316058  1
  Cu  Cu5  1  0.443488  0.002163  0.343684  1
  Cu  Cu6  1  0.582268  0.279796  0.325627  1
  Cu  Cu7  1  0.210760  0.535970  0.321666  1
  Cu  Cu8  1  0.306470  0.727487  0.361881  1
  Cu  Cu9  1  0.911315  0.937541  0.389320  1
  Cu  Cu10  1  0.049099  0.213445  0.370891  1
  Cu  Cu11  1  0.677818  0.470393  0.366895  1
  Cu  Cu12  1  0.773448  0.661459  0.407757  1
  Cu  Cu13  1  0.378701  0.872238  0.435008  1
  Cu  Cu14  1  0.516700  0.148554  0.416561  1
  Cu  Cu15  1  0.144951  0.404709  0.412327  1
  Cu  Cu16  1  0.240642  0.595812  0.453458  1
  Cu  Cu17  1  0.845989  0.806768  0.480650  1
  Cu  Cu18  1  0.984059  0.083208  0.462210  1
  Cu  Cu19  1  0.612305  0.339402  0.457881  1
  Cu  Cu20  1  0.707892  0.530272  0.499097  1
  Cu  Cu21  1  0.313266  0.741278  0.526277  1
  Cu  Cu22  1  0.451339  0.017719  0.507856  1
  Cu  Cu23  1  0.079597  0.273957  0.503483  1
  Cu  Cu24  1  0.175153  0.464747  0.544713  1
  Cu  Cu25  1  0.780529  0.675761  0.571898  1
  Cu  Cu26  1  0.918586  0.952172  0.553514  1
  Cu  Cu27  1  0.546858  0.208440  0.549108  1
  Cu  Cu28  1  0.642472  0.399313  0.590319  1
  Cu  Cu29  1  0.247969  0.610567  0.617532  1
  Cu  Cu30  1  0.385774  0.886525  0.599206  1
  Cu  Cu31  1  0.014016  0.142729  0.594755  1
  Cu  Cu32  1  0.109596  0.333456  0.635846  1
  Cu  Cu33  1  0.715239  0.544785  0.662811  1
  Cu  Cu34  1  0.853046  0.821112  0.644930  1
  Cu  Cu35  1  0.480720  0.076127  0.640475  1
  Cu  Cu36  1  0.576377  0.267133  0.680805  1
  Cu  Cu37  1  0.182107  0.477545  0.707188  1
  Cu  Cu38  1  0.319241  0.753791  0.689607  1
  Cu  Cu39  1  0.947699  0.010195  0.685952  1
  Cu  Cu40  1  0.045193  0.205662  0.724559  1
