# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54465869
_cell_length_b   8.76930734
_cell_length_c   47.57575168
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.59866357
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1050.25523807
_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  0.908283  0.070029  0.299104  1
  Cu  Cu2  1  0.770892  0.343858  0.281340  1
  Cu  Cu3  1  0.144557  0.594928  0.277588  1
  Cu  Cu4  1  0.045994  0.793010  0.315992  1
  Cu  Cu5  1  0.441809  0.002174  0.343620  1
  Cu  Cu6  1  0.303031  0.279800  0.325571  1
  Cu  Cu7  1  0.674527  0.535983  0.321604  1
  Cu  Cu8  1  0.578816  0.727503  0.361810  1
  Cu  Cu9  1  0.973981  0.937548  0.389253  1
  Cu  Cu10  1  0.836201  0.213447  0.370831  1
  Cu  Cu11  1  0.207476  0.470402  0.366830  1
  Cu  Cu12  1  0.111840  0.661471  0.407683  1
  Cu  Cu13  1  0.506596  0.872240  0.434937  1
  Cu  Cu14  1  0.368604  0.148550  0.416497  1
  Cu  Cu15  1  0.740347  0.404713  0.412258  1
  Cu  Cu16  1  0.644653  0.595820  0.453380  1
  Cu  Cu17  1  0.039312  0.806764  0.480575  1
  Cu  Cu18  1  0.901248  0.083199  0.462144  1
  Cu  Cu19  1  0.272997  0.339402  0.457808  1
  Cu  Cu20  1  0.177406  0.530275  0.499016  1
  Cu  Cu21  1  0.572040  0.741269  0.526200  1
  Cu  Cu22  1  0.433972  0.017705  0.507785  1
  Cu  Cu23  1  0.805707  0.273951  0.503407  1
  Cu  Cu24  1  0.710148  0.464745  0.544628  1
  Cu  Cu25  1  0.104781  0.675748  0.571817  1
  Cu  Cu26  1  0.966730  0.952152  0.553440  1
  Cu  Cu27  1  0.338451  0.208430  0.549029  1
  Cu  Cu28  1  0.242832  0.399305  0.590231  1
  Cu  Cu29  1  0.637343  0.610548  0.617448  1
  Cu  Cu30  1  0.499545  0.886501  0.599129  1
  Cu  Cu31  1  0.871293  0.142713  0.594672  1
  Cu  Cu32  1  0.775708  0.333443  0.635755  1
  Cu  Cu33  1  0.170070  0.544761  0.662723  1
  Cu  Cu34  1  0.032273  0.821083  0.644848  1
  Cu  Cu35  1  0.404589  0.076107  0.640388  1
  Cu  Cu36  1  0.308933  0.267114  0.680711  1
  Cu  Cu37  1  0.703198  0.477517  0.707096  1
  Cu  Cu38  1  0.566080  0.753757  0.689521  1
  Cu  Cu39  1  0.937617  0.010168  0.685862  1
  Cu  Cu40  1  0.840121  0.205638  0.724461  1
