# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54486744
_cell_length_b   8.76917810
_cell_length_c   47.57109847
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.59867962
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1050.22323251
_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  0.908241  0.070019  0.299143  1
  Cu  Cu2  1  0.770854  0.343852  0.281374  1
  Cu  Cu3  1  0.144533  0.594917  0.277626  1
  Cu  Cu4  1  0.045962  0.792997  0.316035  1
  Cu  Cu5  1  0.441767  0.002169  0.343662  1
  Cu  Cu6  1  0.302989  0.279800  0.325607  1
  Cu  Cu7  1  0.674496  0.535975  0.321645  1
  Cu  Cu8  1  0.578784  0.727494  0.361856  1
  Cu  Cu9  1  0.973940  0.937547  0.389296  1
  Cu  Cu10  1  0.836158  0.213449  0.370870  1
  Cu  Cu11  1  0.207438  0.470399  0.366872  1
  Cu  Cu12  1  0.111806  0.661467  0.407731  1
  Cu  Cu13  1  0.506555  0.872244  0.434983  1
  Cu  Cu14  1  0.368557  0.148558  0.416538  1
  Cu  Cu15  1  0.740305  0.404714  0.412303  1
  Cu  Cu16  1  0.644612  0.595820  0.453431  1
  Cu  Cu17  1  0.039267  0.806773  0.480623  1
  Cu  Cu18  1  0.901198  0.083211  0.462186  1
  Cu  Cu19  1  0.272950  0.339408  0.457855  1
  Cu  Cu20  1  0.177363  0.530280  0.499069  1
  Cu  Cu21  1  0.571990  0.741283  0.526250  1
  Cu  Cu22  1  0.433919  0.017722  0.507830  1
  Cu  Cu23  1  0.805659  0.273962  0.503456  1
  Cu  Cu24  1  0.710101  0.464755  0.544683  1
  Cu  Cu25  1  0.104727  0.675766  0.571869  1
  Cu  Cu26  1  0.966672  0.952175  0.553487  1
  Cu  Cu27  1  0.338398  0.208446  0.549080  1
  Cu  Cu28  1  0.242783  0.399320  0.590288  1
  Cu  Cu29  1  0.637287  0.610572  0.617502  1
  Cu  Cu30  1  0.499483  0.886529  0.599178  1
  Cu  Cu31  1  0.871240  0.142734  0.594725  1
  Cu  Cu32  1  0.775659  0.333463  0.635814  1
  Cu  Cu33  1  0.170016  0.544790  0.662780  1
  Cu  Cu34  1  0.032211  0.821115  0.644900  1
  Cu  Cu35  1  0.404536  0.076133  0.640444  1
  Cu  Cu36  1  0.308878  0.267140  0.680772  1
  Cu  Cu37  1  0.703147  0.477551  0.707155  1
  Cu  Cu38  1  0.566016  0.753795  0.689575  1
  Cu  Cu39  1  0.937557  0.010200  0.685920  1
  Cu  Cu40  1  0.840065  0.205667  0.724525  1
