# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54054556
_cell_length_b   8.66860951
_cell_length_c   47.20473314
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.56079033
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1028.33317423
_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  0.164007  0.678033  0.306913  1
  Cu  Cu2  1  0.398469  0.209477  0.285363  1
  Cu  Cu3  1  0.535793  0.934386  0.302890  1
  Cu  Cu4  1  0.771469  0.463195  0.282021  1
  Cu  Cu5  1  0.696865  0.612370  0.352170  1
  Cu  Cu6  1  0.930886  0.144456  0.330046  1
  Cu  Cu7  1  0.069082  0.867862  0.348086  1
  Cu  Cu8  1  0.303207  0.399698  0.326317  1
  Cu  Cu9  1  0.229898  0.546323  0.397891  1
  Cu  Cu10  1  0.463908  0.078350  0.375302  1
  Cu  Cu11  1  0.602087  0.801869  0.393753  1
  Cu  Cu12  1  0.835787  0.334516  0.371494  1
  Cu  Cu13  1  0.762903  0.480322  0.443514  1
  Cu  Cu14  1  0.996670  0.012807  0.420830  1
  Cu  Cu15  1  0.134971  0.736111  0.439417  1
  Cu  Cu16  1  0.368678  0.268722  0.416880  1
  Cu  Cu17  1  0.295821  0.414486  0.489094  1
  Cu  Cu18  1  0.529493  0.947154  0.466396  1
  Cu  Cu19  1  0.667864  0.670328  0.485030  1
  Cu  Cu20  1  0.901525  0.203020  0.462374  1
  Cu  Cu21  1  0.828702  0.348720  0.534639  1
  Cu  Cu22  1  0.062363  0.881412  0.511983  1
  Cu  Cu23  1  0.200734  0.604586  0.530617  1
  Cu  Cu24  1  0.434406  0.137254  0.507919  1
  Cu  Cu25  1  0.361550  0.283018  0.580132  1
  Cu  Cu26  1  0.595256  0.815629  0.557596  1
  Cu  Cu27  1  0.733557  0.538933  0.576183  1
  Cu  Cu28  1  0.967324  0.071418  0.553499  1
  Cu  Cu29  1  0.894440  0.217224  0.625519  1
  Cu  Cu30  1  0.128140  0.749871  0.603260  1
  Cu  Cu31  1  0.266319  0.473390  0.621711  1
  Cu  Cu32  1  0.500329  0.005417  0.599122  1
  Cu  Cu33  1  0.427020  0.152042  0.670696  1
  Cu  Cu34  1  0.661145  0.683878  0.648927  1
  Cu  Cu35  1  0.799341  0.407284  0.666967  1
  Cu  Cu36  1  0.033362  0.939370  0.644843  1
  Cu  Cu37  1  0.958758  0.088545  0.714992  1
  Cu  Cu38  1  0.194434  0.617354  0.694123  1
  Cu  Cu39  1  0.331758  0.342263  0.711650  1
  Cu  Cu40  1  0.566220  0.873707  0.690100  1
